1. 26-1666
C9H10CuN3S
Triklin
Dexp Dcal d(D) h k l
8.5600 8.5608 -.0008 0 1 1
7.3200 7.3206 -.0006 -1 1 0
6.1100 6.1125 -.0025 0 -1 1
5.3600 5.3600 .0000 -1 2 0
4.7300 4.7303 -.0003 -1 2 2
4.3200 4.3193 .0007 -1 0 2
4.1000 4.1004 -.0004 -2 2 1
3.7000 3.7003 -.0003 -2 1 2
3.3100 3.3100 .0000 -2 0 2
2.8900 2.8900 .0000 0 4 0
2.7200 2.7199 .0001 -3 3 2
A= 8.490 DA= .003
B= 13.3491 DB= .0007
C= 10.1580 DC= .0001
GAMMA=113.16 DGAMMA= .02
BETA =112.08 DBETA = .01
ALPHA= 64.273 DALPHA= .006
V= 923.9
2. 26-1667
C13H9BrCuN
Triklin
Dexp Dcal d(D) h k l
9.7400 9.7428 -.0028 1 0 0
8.1500 8.1528 -.0028 1 1 1
7.5300 7.5275 .0025 -1 -1 1
5.4200 5.4201 -.0001 0 2 1
4.3600 4.3617 -.0017 1 1 3
3.6400 3.6403 -.0003 0 -3 2
3.5300 3.5302 -.0002 0 0 4
3.3000 3.2993 .0007 2 -2 1
3.1900 3.1900 .0000 -2 -2 3
2.9700 2.9700 -.0000 1 -2 4
2.8700 2.8699 .0001 2 4 2
2.7500 2.7497 .0003 -3 1 1
A= 10.514 DA= .001
B= 12.987 DB= .001
C= 14.298 DC= .001
GAMMA= 69.704 DGAMMA= .002
BETA = 82.25 DBETA = .01
ALPHA= 91.63 DALPHA= .01
V= 1808.4
3. 26-1668
C13H9ClCuN
Triklin
Dexp Dcal d(D) h k l
9.8600 9.8506 .0094 1 0 0
8.0900 8.0806 .0094 0 1 1
7.1000 7.0991 .0009 0 -1 1
4.9400 4.9387 .0013 1 2 1
4.3800 4.3825 -.0025 -2 -1 1
4.1500 4.1507 -.0007 1 1 3
3.9000 3.9006 -.0006 2 2 2
3.6700 3.6683 .0017 -2 -2 1
3.5200 3.5207 -.0007 -1 -2 2
3.3700 3.3707 -.0007 1 3 1
3.2200 3.2208 -.0008 -2 1 2
3.1000 3.0994 .0006 3 0 2
A= 10.604 DA= .003
B= 10.145 DB= .002
C= 12.920 DC= .004
GAMMA= 69.86 DGAMMA= .01
BETA = 78.499 DBETA = .01
ALPHA= 78.94 DALPHA= .01
V= 1267.1
4. 26-1669
Cl3H9CuIN
Triklin
Dexp Dcal d(D) h k l
7.6200 7.5883 .0317 0 1 1
5.8900 5.8908 -.0008 0 -1 1
5.2200 5.2133 .0067 1 1 0
4.7200 4.7282 -.0082 1 0 1
4.4900 4.4896 .0004 -1 0 2
4.1100 4.1207 -.0107 0 2 1
3.9400 3.9361 .0039 -1 1 2
3.6500 3.6511 -.0011 1 2 1
3.5200 3.5223 -.0023 -1 0 3
3.4000 3.4003 -.0003 -1 -2 1
3.2500 3.2492 .0008 0 2 3
3.0700 3.0697 .0003 -1 2 1
B= 8.435 DB= .007
C= 12.216 DC= .008
GAMMA= 78.54 DGAMMA= .02
BETA = 97.62 DBETA = .02
ALPHA= 76.57 DALPHA= .01
V= 563.1
5. 26-1670
C5H6BrCuN2
Triklin
Dexp Dcal d(D) h k l
8.9700 8.9392 .0308 1 0 0
7.9100 7.9192 -.0092 0 1 0
5.4000 5.4085 -.0085 1 0 1
5.1300 5.1399 -.0099 -1 0 1
4.7500 4.7613 -.0113 1 1 1
3.9600 3.9596 .0004 0 2 0
3.8000 3.8037 -.0037 -1 -1 1
3.6500 3.6441 .0059 2 1 0
3.3900 3.3862 .0038 2 -1 1
3.1600 3.1599 .0001 -1 1 2
2.9800 2.9797 .0003 3 0 0
2.7400 2.7393 .0007 1 2 2
A= 9.063 DA= .005
B= 8.340 DB= .001
C= 6.786 DC= .004
GAMMA= 98.99 DGAMMA= .01
BETA = 89.52 DBETA = .01
ALPHA= 74.29 DALPHA= .01
V= 487.0
6. 26-1671
C15H21BrCuN6
Triklin
Dexp Dcal d(D) h k l
6.7900 6.7913 -.0013 -1 1 0
5.4100 5.3992 .0108 0 1 1
5.0100 4.9925 .0175 0 -1 1
4.6200 4.6196 .0004 1 1 0
4.3700 4.3638 .0062 -1 2 0
3.8200 3.8213 -.0013 -2 1 0
3.5300 3.5273 .0027 2 -1 1
3.2100 3.2109 -.0009 1 0 2
3.1300 3.1300 .0000 -2 1 1
2.8800 2.8798 .0002 -1 1 2
2.6600 2.6599 .0001 1 -2 2
2.5200 2.5206 -.0006 -1 -1 2
A= 7.7357 DA= .0007
B= 8.9564 DB= .0004
C= 6.7228 DC= .001
GAMMA=111.40 DGAMMA= .06
BETA = 81.783 DBETA = .01
ALPHA= 88.763 DALPHA= .007
V= 427.8
7. 26-1672
C5H7BrCuN2
Triklin
Dexp Dcal d(D) h k l
9.2300 9.2242 .0058 1 0 0
7.4200 7.4331 -.0131 0 1 0
6.0100 6.0040 .0060 0 0 1
4.8900 4.8904 -.0004 -1 -1 1
3.9900 3.9895 .0005 2 1 0
3.7500 3.7505 -.0005 1 1 1
3.4000 3.4015 -.0015 -1 2 0
3.2600 3.2607 -.0007 -2 1 1
2.7400 2.7401 -.0001 1 0 2
2.5000 2.4998 .0002 -2 2 1
2.3700 2.3698 .0002 -1 3 0
2.1000 2.1000 .0000 2 -3 1
2.0000 2.0000 .0000 4 -1 1
A= 9.3469 DA= .0008
B= 7.622 DB= .001
C= 6.2177 DC= .0003
GAMMA= 85.886 DGAMMA= .007
BETA = 99.03 DBETA = .01
ALPHA=102.594 DALPHA= .002
V= 426.6
8. 26-1673
C15H18BrCuN6
Triklin
Dexp Dcal d(D) h k l
8.9400 8.9442 -.0042 0 1 1
6.7500 6.7474 .0026 0 -1 1
6.2100 6.2023 .0077 1 0 0
5.4500 5.4391 .0109 -1 1 0
4.9300 4.9451 -.0151 1 -1 1
4.5700 4.5689 .0011 1 1 2
4.3100 4.3112 -.0012 0 -2 1
4.1700 4.1709 -.0009 1 2 1
3.8700 3.8700 .0000 1 2 2
3.7400 3.7397 .0003 1 -2 1
3.5000 3.5023 -.0023 0 2 3
A= 6.331 DA= .001
B= 10.944 DB= .007
C= 11.716 DC= .007
GAMMA= 89.10 DGAMMA= .01
BETA = 78.66 DBETA = .02
ALPHA= 74.18 DALPHA= .02
V= 765.1
9. 26-1674
C15H18BrCuN6
Triklin
Dexp Dcal d(D) h k l
15.1000 14.4304 .6696 0 1 0
14.2000 14.2069 -.0069 1 0 0
9.4100 9.4092 .0008 -1 1 0
8.0400 8.0418 -.0018 0 -1 1
6.8100 6.8130 -.0030 2 1 0
6.1300 6.1280 .0020 -1 1 1
5.4100 5.3965 .0135 -2 -2 1
4.9800 4.9821 -.0021 -2 1 1
4.6000 4.6025 -.0025 -3 -1 1
4.4000 4.4038 -.0038 -2 -3 1
4.0600 4.0613 -.0013 -2 -1 2
3.7000 3.7004 -.0004 -3 2 0
3.4900 3.4890 .0010 -4 -2 1
3.1000 3.1004 -.0004 4 3 0
2.7600 2.7600 -.0000 1 -5 1
1.6000 1.6000 .0000 -3 1 5
A= 14.701 DA= .002
B= 15.11 DB= .02
C= 8.745 DC= .006
GAMMA= 78.37 DGAMMA= .05
BETA =101.87 DBETA = .03
ALPHA=104.81 DALPHA= .01
V= 1815.5
10. 26-1675
C5H6BrCuN2
Triklin
Dexp Dcal d(D) h k l
8.0900 8.1005 -.0105 0 1 1
7.4100 7.3968 .0132 1 0 1
6.6700 6.6639 .0061 0 -1 1
6.1400 6.1391 .0009 -1 0 1
5.7800 5.7916 -.0116 0 1 2
4.8100 4.8204 -.0104 -1 -1 1
4.4200 4.4179 .0021 0 2 0
4.0600 4.0645 -.0045 1 1 3
3.8500 3.8502 -.0002 1 -2 0
3.7200 3.7156 .0044 2 1 1
3.5500 3.5468 .0032 2 -1 1
3.3700 3.3692 .0008 1 2 3
A= 8.0053 DA= .0009
B= 9.0385 DB= .004
C= 13.420 DC= .009
GAMMA= 87.56 DGAMMA= .01
BETA = 77.800 DBETA = .003
ALPHA= 77.85 DALPHA= .03
V= 927.8
11. 26-1676
C15H18ClCuN6
Rombik
Groupa 16
Dcap . Dcal. d(D) h k l
8.7900 8.9401 -.1501 1 0 1
6.6200 6.6285 -.0085 0 1 0
6.1500 6.1580 -.0080 2 0 1
4.9100 4.9043 .0057 3 0 0
4.5200 4.5115 .0085 2 1 1
4.2800 4.2903 -.0103 0 1 2
4.1200 4.1188 .0012 1 1 2
3.9500 3.9425 .0075 3 1 0
3.3500 3.3425 .0075 2 0 3
3.0900 3.0925 -.0025 4 1 1
2.9700 2.9800 -.0100 3 0 3
2.7700 2.7640 .0060 1 0 4
a=14.713 b= 6.6285 c=11.26
da= .008 db= .0005 dc= .01
V=1098
Triklin
Dexp Dcal d(D) h k l
8.7900 8.7838 .0062 1 0 0
6.6200 6.6307 -.0107 0 1 1
6.1500 6.1486 .0014 0 -1 1
4.9100 4.9191 -.0091 1 1 1
4.5200 4.5241 -.0041 0 1 2
4.2800 4.2745 .0055 -1 1 2
4.1200 4.1235 -.0035 -2 1 0
3.9500 3.9497 .0003 2 0 1
3.3500 3.3435 .0065 1 2 1
3.0900 3.0899 .0001 0 -1 3
2.9700 2.9697 .0003 1 -2 2
2.7700 2.7695 .0005 3 0 1
A= 8.909 DA= .002
B= 8.213 DB= .001
C= 10.4212 DC= .0008
GAMMA= 98.843 DGAMMA= .009
BETA = 94.56 DBETA = .01
ALPHA= 84.919 DALPHA= .007
V= 748.8
12. 26-1677
C5H6ClCuN2
Triklin
Dexp Dcal d(D) h k l
9.3900 9.3949 -.0049 1 0 0
8.4400 8.4438 -.0038 1 1 0
5.1600 5.1584 .0016 -1 -1 1
4.6100 4.6167 -.0067 0 2 0
4.1700 4.1687 .0013 -1 -2 1
3.7500 3.7500 .0000 -2 -1 1
3.4500 3.4495 .0005 0 -1 2
3.2500 3.2498 .0002 3 2 0
3.0800 3.0778 .0022 0 3 0
2.9200 2.9203 -.0003 -1 -2 2
2.3300 2.3298 .0002 2 3 2
2.1400 2.1402 -.0002 2 -3 2
A= 10.471 DA= .002
B= 10.086 DB= .001
C= 7.18754 DC= .00004
GAMMA= 69.02 DGAMMA= .03
BETA = 77.21 DBETA = .03
ALPHA= 95.72 DALPHA= .03
V= 677.7
13. 26-1678
C5H6ClCuN2
Triklin
Dexp Dcal d(D) h k l
12.5000 12.5063 -.0063 1 0 0
9.4700 9.4618 .0082 -1 1 0
7.7200 7.7238 -.0038 1 0 1
6.8400 6.8352 .0048 0 -1 1
5.9500 5.9528 -.0028 0 1 2
5.2300 5.2299 .0001 2 1 0
4.7300 4.7309 -.0009 -2 2 0
4.4800 4.4795 .0005 -1 3 1
4.0800 4.0793 .0007 -3 0 1
3.8400 3.8398 .0002 -3 1 2
3.4900 3.4907 -.0007 0 3 3
3.2700 3.2702 -.0002 2 3 1
2.9400 2.9401 -.0001 -3 0 3
2.5500 2.5498 .0002 3 2 3
2.4100 2.4099 .0001 -2 5 4
A= 12.9730 DA= .0006
B= 13.587 DB= .006
C= 12.214 DC= .006
GAMMA=103.43 DGAMMA= .03
BETA =102.57 DBETA = .02
ALPHA= 64.24 DALPHA= .01
V= 1869.0
14. 26-1679
C15H18ClCuN6
Triklin
Dexp Dcal d(D) h k l
10.9000 10.9057 -.0057 1 0 0
9.4900 9.4756 .0144 0 1 0
8.0600 8.0574 .0026 -1 1 0
6.6700 6.6661 .0039 1 1 1
6.1300 6.1215 .0085 -1 1 1
5.4100 5.3973 .0127 2 0 1
4.5900 4.5813 .0087 1 1 2
4.3600 4.3582 .0018 0 0 2
3.8400 3.8397 .0003 1 -2 1
3.6800 3.6776 .0024 0 -2 1
3.5500 3.5529 -.0029 2 2 1
3.3100 3.3100 .0000 -1 3 1
A= 11.5122 DA= .0002
B= 10.1396 DB= .0001
C= 9.5393 DC= .0002
GAMMA= 97.334 DGAMMA= .001
BETA = 75.8836 DBETA = .0009
ALPHA= 73.080 DALPHA= .001
V =1008.4
15. 26-1680
C15H18ClCuN6
Triklin
Dexp Dcal d(D) h k l
12.2000 12.2313 -.0313 1 0 0
6.7500 6.7564 -.0064 -1 1 1
6.2300 6.2376 -.0076 1 -1 1
5.7500 5.7653 -.0153 0 -1 1
5.2800 5.2805 -.0005 -1 2 0
4.9400 4.9462 -.0062 2 1 1
4.7400 4.7270 .0130 0 1 2
4.4700 4.4718 -.0018 0 0 2
4.1100 4.1051 .0049 2 1 2
3.8500 3.8458 .0042 0 -2 1
3.6300 3.6303 -.0003 3 0 2
3.4100 3.4062 .0038 3 1 0
A= 13.291 DA= .003
B= 10.9953 DB= .0008
C= 9.7737 DC= .01
GAMMA=104.36 DGAMMA= .07
BETA = 76.945 DBETA = .02
ALPHA= 74.60 DALPHA= .06
V= 1266.2
16. 26-1681
C5H6CuIN2
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
9.3900 9.4246 -.0346 1 1 0
7.3400 7.3463 -.0063 0 0 1
6.0400 6.0240 .0160 1 2 0
4.6500 4.6582 -.0082 1 2 1
3.9800 3.9664 .0136 2 2 1
3.7600 3.7540 .0060 3 0 1
3.3900 3.3918 -.0018 0 4 0
3.2800 3.2835 -.0035 1 4 0
2.7400 2.7372 .0028 4 2 1
2.5100 2.5069 .0031 2 5 0
2.3700 2.3701 -.0001 1 1 3
2.2400 2.2436 -.0036 4 4 1
2.0900 2.0896 .0004 4 5 0
2.0000 2.0001 -.0001 6 2 1
a=13.102 b=13.567 c= 7.3463
da= .008 db= .002 dc= .0008
V=1305.8
Triklin
Dexp Dcal d(D) h k l
9.3900 9.3751 .0149 1 0 0
7.3400 7.3374 .0026 -1 0 1
6.0400 6.0377 .0023 0 -1 1
4.6500 4.6503 -.0003 -1 2 0
3.9800 3.9786 .0014 0 -1 2
3.7600 3.7585 .0015 1 1 2
3.3900 3.3901 -.0001 -1 1 3
3.2800 3.2798 .0002 -1 -2 1
2.7400 2.7402 -.0002 1 -1 3
2.5100 2.5102 -.0002 2 0 3
2.3700 2.3701 -.0001 -2 4 2
2.2400 2.2400 .0000 -4 2 3
2.0900 2.0900 .0000 0 -4 1
2.0000 2.0001 -.0001 -4 -1 2
A= 10.161 DA= .002
B= 9.7594 DB= .0006
C= 10.254 DC= .002
GAMMA=111.10 DGAMMA= .01
BETA =103.12 DBETA = .01
ALPHA= 74.988 DALPHA= .001
V= 906.11
17. 26-1682
C15H18CuIN6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.2000 10.2126 -.0126 0 1 0
8.5100 8.5172 -.0072 1 1 0
5.5000 5.4998 .0002 -2 0 2
4.6400 4.6410 -.0010 3 1 2
4.3000 4.3015 -.0015 2 2 1
3.9900 3.9911 -.0011 4 0 2
3.8300 3.8317 -.0017 -2 0 4
3.4500 3.4509 -.0009 -3 1 3
3.3900 3.3905 -.0005 -1 2 4
3.1100 3.1111 -.0011 -1 3 2
2.8800 2.8796 .0004 5 0 5
2.5800 2.5800 .0000 0 0 8
a= 16.050 b= 10.212 c= 21.462 beta= 74.08
da= .002 db=.003 dc= .006 dbeta=,02
V= 3383
Triklin
Dexp Dcal d(D) h k l
10.2000 10.1738 .0262 1 0 0
8.5100 8.5095 .0005 0 1 0
5.5000 5.4941 .0059 0 0 1
4.6400 4.6403 -.0003 -1 -1 1
4.3000 4.2962 .0038 -1 1 1
3.9900 3.9815 .0085 1 2 0
3.8300 3.8285 .0015 -2 -1 1
3.4500 3.4503 -.0003 -1 -2 1
3.3900 3.3913 -.0013 3 0 0
3.1100 3.1085 .0015 -3 1 0
2.8800 2.8783 .0017 -3 1 1
2.5800 2.5800 .0000 -1 1 2
A= 10.34898 DA= .00007
B= 8.5417 DB= .0001
C= 5.59780 DC= .00004
GAMMA= 86.9980 DGAMMA= .0008
BETA =100.3228 DBETA = .0006
ALPHA= 94.4435 DALPHA= .0007
V=485.0
18. 26-1683
C5H6CuIN2
Triklin
Dexp Dcal d(D) h k l
10.6000 10.5977 .0023 1 0 0
9.8700 9.8710 -.0010 0 1 0
8.0400 8.0453 -.0053 0 0 1
7.1700 7.1661 .0039 0 -1 1
6.3400 6.3523 -.0123 -1 0 1
5.8100 5.8270 -.0170 -1 -1 1
4.7300 4.7359 -.0059 -2 1 0
4.5300 4.5332 -.0032 -1 2 0
4.3400 4.3463 -.0063 2 -1 1
3.8100 3.8074 .0026 0 2 1
3.5800 3.5831 -.0031 0 -2 2
3.3500 3.3502 -.0002 0 -3 1
A= 10.608 DA= .002
B= 10.197 DB= .001
C= 8.307 DC= .007
GAMMA= 92.28 DGAMMA= .02
BETA = 88.43 DBETA = .08
ALPHA=104.400 DALPHA= .007
V= 869.5
19. 26-1684
C15H18CuIN6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
13.2000 13.1388 .0612 0 0 1
10.3000 10.3247 -.0247 1 1 0
8.4100 8.4221 -.0121 1 0 1
7.3800 7.3805 -.0005 1 1 1
6.6200 6.6179 .0021 0 2 1
4.8700 4.8605 .0095 -3 0 1
4.5700 4.5664 .0036 -2 2 2
4.2800 4.2869 -.0069 -3 1 2
3.5200 3.5208 -.0008 -3 3 1
3.2300 3.2299 .0001 -4 0 3
3.0900 3.0900 .0000 -2 2 4
2.7300 2.7298 .0002 -4 3 3
2.4900 2.4900 -.0000 -5 1 4
a= 14.612 b= 15.32 c= 13.739 beta= 106.99
da= .001 db=.03 dc=.004 dbeta=.03
V= 2942
20. 26-1685
C5H6CuIN2
Triklin
Dexp Dcal d(D) h k l
8.9000 8.8869 .0131 1 0 0
5.2100 5.2091 .0009 0 1 0
4.9900 4.9819 .0081 -1 0 1
4.2300 4.2381 -.0081 0 1 1
3.7500 3.7473 .0027 1 -1 1
3.4800 3.4819 -.0019 -2 0 1
3.1300 3.1288 .0012 2 1 1
3.0100 3.0084 .0016 -2 1 1
2.8300 2.8311 -.0011 3 0 1
2.6700 2.6698 .0002 -1 1 2
2.4900 2.4910 -.0010 -2 0 2
2.2000 2.2004 -.0004 2 2 0
A= 8.961 DA= .002
B= 5.2293 DB= .0004
C= 6.601 DC= .005
GAMMA= 92.296 DGAMMA= .005
BETA = 83.18 DBETA = .01
ALPHA= 85.82 DALPHA= .02
V= 305.9
21. 26-1686
C15H18CuIN6
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
6.8300 6.8282 .0018 1 1 0
4.6600 4.6534 .0066 -2 0 1
4.3900 4.3803 .0097 1 1 1
4.1200 4.1244 -.0044 -1 2 1
3.5500 3.5500 -.0000 0 0 2
3.4300 3.4298 .0002 0 3 0
3.1800 3.1788 .0012 2 1 1
2.9200 2.9219 -.0019 0 2 2
2.7400 2.7406 -.0006 -3 2 1
2.6200 2.6189 .0011 3 2 0
2.4100 2.4103 -.0003 -1 4 1
2.2700 2.2694 .0006 -4 1 2
2.1000 2.0997 .0003 -3 2 3
1.9900 1.9906 -.0006 3 0 2
1.9200 1.9207 -.0007 -5 0 2
a= 9.748 b= 10.289 c= 7.583 beta= 110.547
da=.009 db=.005 dc= .001 dbeta=.006
V= 712.2
Triklin
Dexp Dcal d(D) h k l
6.8300 6.8270 .0030 1 0 0
4.6600 4.6586 .0014 0 1 1
4.3900 4.3954 -.0054 0 -1 1
4.1200 4.1127 .0073 0 0 2
3.5500 3.5501 -.0001 -2 1 0
3.4300 3.4294 .0006 -2 0 1
3.1800 3.1791 .0009 0 -1 2
2.9200 2.9185 .0015 -1 2 0
2.7400 2.7418 -.0018 0 0 3
2.6200 2.6202 -.0002 0 2 1
2.4100 2.4103 -.0003 -2 0 3
2.2700 2.2699 .0001 -1 -1 3
2.1000 2.0998 .0002 -1 0 4
1.9900 1.9900 .0000 0 2 3
1.9200 1.9201 -.0001 -2 3 0
A= 7.632 DA= .005
B= 5.915 DB= .003
C= 8.540 DC= .002
GAMMA=113.55 DGAMMA= .04
BETA =105.190 DBETA = .01
ALPHA= 80.76 DALPHA= .01
V= 340.4
22. 26-1688
C13H8CuKN3O5
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.5500 9.7303 -.1803 1 0 1
8.5500 8.5522 -.0022 1 1 0
6.9000 6.9012 -.0012 -1 0 2
6.0000 6.0124 -.0124 -2 1 1
5.4500 5.4393 .0107 2 1 1
4.8000 4.7870 .0130 0 2 1
4.5000 4.5088 -.0088 1 2 1
4.2500 4.2481 .0019 3 1 1
3.9000 3.8996 .0004 1 2 2
3.8500 3.8506 -.0006 -3 0 3
3.6500 3.6502 -.0002 3 1 2
3.5000 3.4989 .0011 -4 1 2
a= 16.016 b=10.176 c= 14.336 beta= 99.84
da= . 001 db=.003 dc=.003 dbeta=.07
V= 2302
Triklin
Dexp Dcal d(D) h k l
9.5500 9.5828 -.0328 1 0 0
8.5500 8.5394 .0106 0 1 0
6.9000 6.9061 -.0061 0 0 1
6.0000 6.0026 -.0026 -1 -1 1
5.4500 5.4605 -.0105 -1 1 0
4.8000 4.7914 .0086 2 0 0
4.5000 4.4896 .0104 -1 -2 1
4.2500 4.2591 -.0091 0 -2 1
3.9000 3.8961 .0039 -2 -2 1
3.8500 3.8503 -.0003 -2 0 1
3.6500 3.6481 .0019 -2 1 0
3.5000 3.4970 .0030 -1 -1 2
A= 10.321 DA= .006
B= 9.647 DB= .006
C= 7.270 DC= .002
GAMMA= 68.37 DGAMMA= .01
BETA = 94.09 DBETA = .02
ALPHA=108.01 DALPHA= .04
V= 639.2
23. 26-1689
CH1.5Cl1.5CuO0.5
Triklin
Dexp Dcal d(D) h k l
7.1600 7.1561 .0039 -1 1 0
6.4100 6.4044 .0056 0 1 1
5.0900 5.0932 -.0032 0 -1 1
4.2800 4.2778 .0022 -2 1 0
3.4500 3.4459 .0041 1 2 1
3.2400 3.2371 .0029 0 -1 2
3.0200 3.0194 .0006 -1 0 2
2.8900 2.8906 -.0006 -1 2 2
2.6300 2.6301 -.0001 2 2 2
2.3800 2.3800 -.0000 1 3 2
2.2600 2.2602 -.0002 -3 0 1
2.2000 2.1994 .0006 -1 0 3
A= 9.4296 DA= .0001
B= 8.7907 DB= .0004
C= 8.680 DC= .002
GAMMA=106.734 DGAMMA= .009
BETA = 66.6148 DBETA = .0008
ALPHA= 85.19 DALPHA= .01
V= 616.2
24. 26-1690
C8H11BrCuN
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.5000 10.4802 .0198 1 1 0
7.5000 7.4997 .0003 -1 1 1
6.7800 6.7771 .0029 2 1 1
6.6000 6.5748 .0252 1 2 0
6.3900 6.4174 -.0274 0 2 1
6.2500 6.2484 .0016 1 2 1
5.6100 5.6071 .0029 -1 2 1
5.2300 5.2401 -.0101 2 2 0
4.8700 4.8746 -.0046 0 3 0
4.6900 4.6968 -.0068 1 0 3
4.2700 4.2700 .0000 3 2 1
a= 15.8143 b= 14.624 c= 14.09205 beta= 71.83
da= .008 db=.001 dc=.000004 dbeta=.06
V= 3097
Triklin
Dexp Dcal d(D) h k l
10.5000 10.4891 .0109 0 1 0
7.5000 7.5096 -.0096 -1 0 1
6.7800 6.7825 -.0025 0 -1 2
6.6000 6.5820 .0180 0 0 2
6.3900 6.4106 -.0206 1 -1 1
6.2500 6.2747 -.0247 -1 -1 1
5.6100 5.6092 .0008 -1 0 2
5.2300 5.2445 -.0145 0 2 0
4.8700 4.8590 .0110 1 1 1
4.6900 4.6946 -.0046 0 -1 3
4.2700 4.2694 .0006 -1 -2 2
4.1900 4.1910 -.0010 -1 2 1
A= 8.278 DA= .008
B= 11.3089 DB= .0008
C= 14.224 DC= .002
GAMMA= 96.17 DGAMMA= .01
BETA = 97.24 DBETA = .07
ALPHA=109.99 DALPHA= .02
V= 1225.3
25. 26-1691
C8H11ClCuN
Triklin
Dexp Dcal d(D) h k l
8.3500 8.3526 -.0026 0 1 1
7.9700 7.9682 .0018 0 -1 1
7.3400 7.3441 -.0041 -1 -1 1
6.6100 6.6193 -.0093 2 0 0
5.7200 5.7221 -.0021 0 2 1
5.3400 5.3415 -.0015 1 2 1
4.7200 4.7315 -.0115 0 -1 2
4.4400 4.4391 .0009 0 3 0
4.2700 4.2705 -.0005 1 -1 2
4.1400 4.1396 .0004 -3 -1 1
3.9300 3.9293 .0007 2 -2 1
3.6200 3.6176 .0024 2 -1 2
A= 13.4041 DA= .0003
B= 13.4246 DB= .0003
C= 10.37698 DC= .00009
GAMMA= 83.315 DGAMMA= .004
BETA = 95.768 DBETA = .002
ALPHA= 87.9232 DALPHA= .0005
V=1843.2
26. 26-1692
C3Cu3N3O3*1.5H2O
Triklin
Dexp Dcal d(D) h k l
7.4700 7.4627 .0073 0 1 0
6.8400 6.8444 -.0044 1 0 1
5.7100 5.7009 .0091 0 -1 2
5.3800 5.3809 -.0009 0 1 2
4.1300 4.1307 -.0007 -1 -1 2
3.6200 3.6180 .0020 2 0 0
3.3400 3.3392 .0008 2 -1 2
3.1200 3.1205 -.0005 1 2 0
2.8150 2.8151 -.0001 2 -1 4
2.7230 2.7229 .0001 -1 1 5
2.6120 2.6118 .0002 -2 0 4
2.5210 2.5216 -.0006 2 1 4
A= 7.363 DA= .001
B= 7.5788 DB= .0005
C= 16.601 DC= .001
GAMMA= 99.49 DGAMMA= .01
BETA = 84.5125 DBETA = .0002
ALPHA= 94.177 DALPHA= .006
V= 908.0
27. 26-1693
C3H8CuN5O3
Triklin
Dexp Dcal d(D) h k l
8.6900 8.6682 .0218 0 1 1
6.6700 6.6828 -.0128 0 -1 1
6.0400 6.0522 -.0122 1 0 1
5.6500 5.6485 .0015 1 1 1
5.1200 5.1243 -.0043 -1 -1 1
4.8800 4.8874 -.0074 -1 0 2
4.6600 4.6601 -.0001 1 1 2
4.3100 4.2943 .0157 0 0 3
4.0900 4.0986 -.0086 -1 -1 2
3.5800 3.5842 -.0042 1 0 3
3.4500 3.4482 .0018 -2 0 1
3.1500 3.1490 .0010 -1 -2 2
A= 7.0944 DA= .0001
B= 9.5908 DB= .0001
C= 13.38045 DC= .00009
GAMMA= 84.5880 DGAMMA= .0008
BETA = 91.4966 DBETA = .0003
ALPHA= 74.6231 DALPHA= .0006
V=872.6
28. 26-1693
C3H8CuN5O3
Triklin
Dexp Dcal d(D) h k l
8.6900 8.6682 .0218 0 1 1
6.6700 6.6828 -.0128 0 -1 1
6.0400 6.0522 -.0122 1 0 1
5.6500 5.6485 .0015 1 1 1
5.1200 5.1243 -.0043 -1 -1 1
4.8800 4.8874 -.0074 -1 0 2
4.6600 4.6601 -.0001 1 1 2
4.3100 4.2943 .0157 0 0 3
4.0900 4.0986 -.0086 -1 -1 2
3.5800 3.5842 -.0042 1 0 3
3.4500 3.4482 .0018 -2 0 1
3.1500 3.1490 .0010 -1 -2 2
A= 7.0944 DA= .0001
B= 9.5908 DB= .0001
C= 13.38045 DC= .00009
GAMMA= 84.5880 DGAMMA= .0008
BETA = 91.4966 DBETA = .0003
ALPHA= 74.6231 DALPHA= .0006
V=872.6
29. 26-1694
C6H10CuN10O6
Triklin
Dexp Dcal d(D) h k l
8.9200 8.9223 -.0023 -1 1 0
6.5400 6.5352 .0048 0 0 1
5.1700 5.1713 -.0013 0 -2 1
4.6800 4.6806 -.0006 -1 3 0
4.3500 4.3506 -.0006 1 1 1
3.9400 3.9365 .0035 1 3 0
3.4900 3.4927 -.0027 2 0 1
3.2200 3.2188 .0012 -1 1 2
3.1300 3.1290 .0010 1 4 0
3.0100 3.0108 -.0008 -2 1 2
2.8340 2.8311 .0029 0 2 2
2.8080 2.8079 .0001 -2 -2 2
A= 10.111 DA= .002
B= 14.651 DB= .001
C= 6.7607 DC= .0002
GAMMA=101.023 DGAMMA= .004
BETA =102.768 DBETA = .001
ALPHA= 94.89 DALPHA= .01
V= 950.2
30. 26-1695
C6H8CuO4S2*2H2O
Triklin
Dexp Dcal d(D) h k l
7.6900 7.6899 .0001 1 0 0
5.7100 5.7101 -.0001 1 1 0
4.7700 4.7702 -.0002 1 -1 2
4.3300 4.3302 -.0002 1 -2 2
3.8600 3.8598 .0002 -2 1 0
3.4800 3.4800 -.0000 -2 0 1
3.0700 3.0700 -.0000 2 -3 1
2.9000 2.9000 -.0000 -1 -3 2
2.5100 2.5099 .0001 1 -3 4
2.1400 2.1400 .0000 -1 1 4
1.9400 1.9400 .0000 1 5 0
1.7400 1.7400 .0000 -4 0 2
A= 7.95284 DA= .00007
B= 11.5288 DB= .0001
C= 10.715 DC= .002
GAMMA=103.824 DGAMMA= .002
BETA = 80.22 DBETA = .01
ALPHA=111.287 DALPHA= .001
V= 885.18
31. 26-1696
C10H10Cu2O8S4*8H2O
Triklin
Dexp Dcal d(D) h k l
7.1300 7.1366 -.0066 0 1 1
6.1400 6.1374 .0026 0 -1 1
5.5300 5.5350 -.0050 1 1 0
5.0300 5.0320 -.0020 -1 0 1
4.4600 4.4592 .0008 -1 2 1
3.9500 3.9537 -.0037 0 1 2
3.6000 3.5998 .0002 -1 3 1
3.2500 3.2493 .0007 -1 2 2
2.9100 2.9095 .0005 -1 3 2
2.5800 2.5800 .0000 2 -2 2
2.4000 2.4002 -.0002 2 -4 1
2.2800 2.2798 .0002 -1 -3 2
A= 7.275 DA= .004
B= 12.266 DB= .003
C= 8.0455 DC= .0002
GAMMA=102.48 DGAMMA= .02
BETA = 86.290 DBETA = .004
ALPHA= 81.745 DALPHA= .003
V= 690.2
32. 26-1697
C7H9CuIN
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
9.8800 9.8177 .0623 1 0 1
7.8500 7.8516 -.0016 2 0 0
6.3100 6.2897 .0203 0 0 2
4.9100 4.9089 .0011 2 0 2
4.1100 4.0932 .0168 0 1 1
3.9300 3.9258 .0042 4 0 0
3.7500 3.7475 .0025 4 0 1
3.5700 3.5659 .0041 0 1 2
3.3400 3.3358 .0042 3 1 0
3.2200 3.2244 -.0044 3 1 1
3.0500 3.0471 .0029 5 0 1
2.9500 2.9470 .0030 3 1 2
a=15.7032 b= 4.329 c=12.579
da= .0008 db= .006 dc= .003
V= 855.1
33. 26-1698
C21H27CuIN3
Triklin
Dexp Dcal d(D) h k l
9.6400 9.6826 -.0426 1 0 0
9.0700 9.0902 -.0202 1 1 0
8.1900 8.1869 .0031 0 0 1
7.5700 7.5677 .0023 1 1 1
7.0400 7.0656 -.0256 1 0 1
5.6400 5.6667 -.0267 -1 0 1
5.3100 5.3099 .0001 2 1 1
4.6400 4.6387 .0013 2 0 1
3.9200 3.9190 .0010 2 1 2
3.6700 3.6708 -.0008 1 3 0
3.3200 3.3168 .0032 -1 -1 2
3.1800 3.1799 .0001 3 1 2
A= 11.2126 DA= .0002
B= 11.5262 DB= .0007
C= 8.7624 DC= .0001
GAMMA= 62.290 DGAMMA= .003
BETA = 71.322 DBETA = .004
ALPHA= 73.306 DALPHA= .005
V=936.7
34. 26-1699
C7H9CuIN
Triklin
Dexp Dcal d(D) h k l
9.2400 9.2394 .0006 0 1 1
9.1000 9.0908 .0092 0 -1 1
8.7100 8.7079 .0021 1 1 0
8.1000 8.0930 .0070 1 0 1
7.3900 7.3839 .0061 1 -1 1
5.6100 5.6071 .0029 0 1 2
5.2600 5.2604 -.0004 2 -1 1
3.8800 3.8754 .0046 0 -1 3
3.7600 3.7581 .0019 -2 3 2
3.4800 3.4795 .0005 0 -2 3
3.3300 3.3292 .0008 1 3 2
3.1500 3.1494 .0006 -3 -1 3
A= 13.808 DA= .001
B= 14.2817 DB= .0003
C= 12.487 DC= .003
GAMMA=102.512 DGAMMA= .004
BETA =103.1055 DBETA = .0002
ALPHA= 86.3011 DALPHA= .0001
V= 2341.33
35. 26-1700
C21H27CuIN3
Triklin
Dexp Dcal d(D) h k l
7.6600 7.6630 -.0030 1 0 1
7.3600 7.3594 .0006 0 1 1
6.9500 6.9527 -.0027 0 -1 1
5.1900 5.1878 .0022 -1 -1 1
5.0400 5.0370 .0030 0 -1 2
4.2700 4.2713 -.0013 0 2 0
4.1500 4.1553 -.0053 -2 0 1
4.0100 4.0127 -.0027 2 -1 1
3.7800 3.7828 -.0028 0 -1 3
3.6800 3.6797 .0003 0 2 2
3.2800 3.2788 .0012 -2 2 0
3.1700 3.1684 .0016 -2 -1 2
A= 9.056 DA= .002
B= 8.6066 DB= .0001
C= 13.104 DC= .002
GAMMA= 96.03 DGAMMA= .02
BETA = 86.211 DBETA = .001
ALPHA= 86.881 DALPHA= .004
V= 1011.6
36. 26-1701
C7H9CuIN
Triklin
Dexp Dcal d(D) h k l
10.6000 10.5959 .0041 1 0 0
9.9000 9.8913 .0087 -1 1 0
9.3200 9.3342 -.0142 -1 0 1
7.3200 7.3025 .0175 1 -1 1
6.8600 6.8565 .0035 1 0 1
5.8700 5.8739 -.0039 -1 0 2
5.0100 5.0103 -.0003 -1 -1 2
4.4500 4.4508 -.0008 2 -2 1
3.9000 3.8992 .0008 1 2 0
3.5900 3.5883 .0017 -2 1 3
3.0400 3.0400 .0000 0 3 1
2.7500 2.7502 -.0002 2 0 3
2.4900 2.4901 -.0001 -3 -1 4
2.2100 2.2101 -.0001 -3 4 3
A= 12.242 DA= .006
B= 11.352 DB= .002
C= 12.194 DC= .003
GAMMA=114.858 DGAMMA= .005
BETA =103.230 DBETA = .03
ALPHA= 95.78 DALPHA= .01
V= 1459.3
37. 26-1702
C21H27CuIN3
Triklin
Dexp Dcal d(D) h k l
11.2000 11.2006 -.0006 1 0 0
9.6900 9.7114 -.0214 -1 1 0
7.6600 7.6574 .0026 1 0 1
6.9400 6.9273 .0127 -1 0 1
5.7600 5.7617 -.0017 -2 1 0
5.3000 5.3049 -.0049 -1 2 1
5.0200 5.0236 -.0036 2 -1 1
4.6300 4.6302 -.0002 -2 0 1
4.2500 4.2509 -.0009 1 -1 2
3.9000 3.9004 -.0004 -1 2 2
3.6900 3.6890 .0010 -3 2 0
3.3000 3.2997 .0003 -1 3 2
3.1200 3.1196 .0004 3 -1 2
2.9600 2.9599 .0001 0 4 1
2.8000 2.8002 -.0002 4 0 0
A= 11.742 DA= .001
B= 12.553 DB= .006
C= 9.6499 DC= .0004
GAMMA=106.52 DGAMMA= .04
BETA = 86.22 DBETA = .01
ALPHA= 83.86 DALPHA= .02
V= 1348.9
38. 26-1703
C7H5CuO3
Triklin
Dexp Dcal d(D) h k l
13.8000 13.7883 .0117 1 0 0
6.8300 6.8303 -.0003 -1 1 1
6.4100 6.4143 -.0043 1 -1 1
5.3300 5.3317 -.0017 -1 0 2
4.5300 4.5319 -.0019 -1 2 0
4.1900 4.1841 .0059 -2 2 0
3.6200 3.6257 -.0057 -3 2 0
3.3900 3.3885 .0015 3 1 1
3.3500 3.3503 -.0003 -2 -2 1
3.2300 3.2292 .0008 1 -1 3
3.0600 3.0597 .0003 -4 2 1
2.8900 2.8898 .0002 -2 3 1
A= 14.3376 DA= .0006
B= 9.109 DB= .004
C= 10.93996 DC= .00005
GAMMA=102.823 DGAMMA= .007
BETA = 99.272 DBETA = .005
ALPHA= 90.03 DALPHA= .01
V= 1374.0
39. 26-1705
C5H5CuIN
Triklin
Dexp Dcal d(D) h k l
9.7900 9.7585 .0315 -1 0 1
9.2500 9.2527 -.0027 0 1 0
8.7000 8.7525 -.0525 -1 1 1
7.8600 7.8649 -.0049 1 0 1
7.0500 7.0367 .0133 0 0 2
6.7900 6.7629 .0271 1 -1 1
5.9000 5.8996 .0004 0 1 2
5.0700 5.0658 .0042 -1 2 1
4.4300 4.4314 -.0014 1 -2 1
4.0300 4.0297 .0003 -2 0 3
3.7300 3.7283 .0017 -2 -1 2
3.6400 3.6399 .0001 -1 -2 1
A= 12.399 DA= .003
B= 10.243 DB= .003
C= 14.7428 DC= .0007
GAMMA=114.76 DGAMMA= .02
BETA =106.34 DBETA = .03
ALPHA= 78.059 DALPHA= .008
V=1624
40. 26-1706
C10H10CuIN2
Triklin
Dexp Dcal d(D) h k l
8.6400 8.6382 .0018 1 0 0
7.8600 7.8576 .0024 0 1 1
6.5600 6.5588 .0012 -1 1 0
5.0700 5.0733 -.0033 0 1 3
4.1800 4.1788 .0012 -2 1 0
3.9500 3.9491 .0009 0 2 0
3.7000 3.7019 -.0019 -2 1 4
3.5700 3.5693 .0007 1 -1 3
3.5600 3.5613 -.0013 -2 2 2
3.2400 3.2408 -.0008 0 2 4
2.9700 2.9710 -.0010 -3 0 2
2.9100 2.9100 -.0000 -3 1 0
A= 9.350 DA= .001
B= 8.4775 DB= .0008
C= 17.824 DC= .001
GAMMA=106.80 DGAMMA= .02
BETA =109.06 DBETA = .05
ALPHA= 72.40 DALPHA= .01
V= 1244.1
41. 26-1707
C15H15CuIN3
Rombik
Groupa 34,58
Dexp. Dcal. d(D) h k l
8.0100 8.0180 -.0080 0 2 0
7.4000 7.3784 .0216 2 1 0
5.2500 5.2365 .0135 3 1 0
4.5400 4.5580 -.0180 3 2 0
4.1300 4.1300 .0000 1 0 1
3.9000 3.8972 .0028 1 4 0
3.3000 3.3063 -.0063 3 1 1
3.0700 3.0707 -.0007 5 2 0
2.9300 2.9258 .0042 4 1 1
2.7900 2.7898 .0002 4 2 1
a=16.62 b=16.036 c= 4.2637
da= .02 db= .0099 dc= .0008
V=1136
42. 26-1708
C9H7CuIN
Triklin
Dexp. Dcal. d(D) h k l
11.9000 11.8212 -.0788 0 0 1
9.2600 9.3628 .1028 1 0 0
7.1800 7.2144 .0344 0 2 0
6.5600 6.5418 -.0182 1 1 1
5.0000 4.9980 -.0020 1 0 2
4.2800 4.2782 -.0018 1 3 0
3.6700 3.6698 -.0002 2 0 2
3.4600 3.4582 -.0018 0 2 3
3.2600 3.2709 .0109 2 2 2
3.0500 3.0504 .0004 3 1 0
2.8900 2.8858 -.0042 0 5 0
2.5900 2.5932 .0032 0 5 2
a= 9.363 b= 14.429 c= 11.82
da= .001 db=.003 dc= .03
V= 1597
43. 26-1709
C18H14CuIN2
Triklin
Dexp Dcal d(D) h k l
9.3000 9.3021 -.0021 1 0 1
7.2300 7.2282 .0018 0 1 0
6.5500 6.5475 .0025 0 1 1
6.0700 6.0719 -.0019 1 1 1
5.3100 5.3094 .0006 -1 1 1
4.9700 4.9693 .0007 1 1 2
3.5500 3.5504 -.0004 0 2 1
3.4300 3.4302 -.0002 0 -2 1
3.2400 3.2399 .0001 1 -2 1
3.0200 3.0202 -.0002 -1 2 2
2.3200 2.3200 .0000 4 -1 3
2.2400 2.2400 .0000 5 0 0
2.1200 2.1200 .0000 -2 3 1
A= 11.386 DA= .002
B= 7.281 DB= .002
C= 13.56 DC= .01
GAMMA= 84.32 DGAMMA= .01
BETA = 80.93 DBETA = .05
ALPHA= 85.26 DALPHA= .05
V= 1102.3
44. 26-1710
C7H9BrCuN
Triklin
Dexp Dcal d(D) h k l
9.7600 9.7422 .0178 1 0 0
8.8500 8.8294 .0206 0 1 1
8.5400 8.5009 .0391 0 -1 1
8.2700 8.2229 .0471 1 0 1
7.4400 7.4345 .0055 -1 -1 1
7.1500 7.1633 -.0133 -1 0 2
6.9100 6.8922 .0178 0 1 2
6.5600 6.5835 -.0235 0 -1 2
6.0700 6.0905 -.0205 -1 1 1
5.5200 5.5305 -.0105 -1 0 3
5.3300 5.3380 -.0080 0 1 3
5.0200 5.0192 .0008 -1 -1 3
A= 10.0900 DA= .0001
B= 10.080 DB= .001
C= 18.6793 DC= .0001
GAMMA= 76.590 DGAMMA= .006
BETA = 96.543 DBETA = .006
ALPHA= 88.980 DALPHA= .006
V=1836.5
45. 26-1711
C21H27BrCuN3
Triklin
Dexp Dcal d(D) h k l
10.3000 10.3022 -.0022 0 1 1
8.8500 8.8497 .0003 1 1 0
8.0300 8.0261 .0039 0 -1 1
6.9300 6.9301 -.0001 1 -1 1
6.6700 6.6697 .0003 -1 -1 1
6.3900 6.3876 .0024 2 0 0
6.0100 6.0077 .0023 0 2 1
5.7700 5.7572 .0128 -1 0 2
5.2700 5.2651 .0049 -1 2 1
4.9800 4.9828 -.0028 1 2 2
4.6500 4.6520 -.0020 0 1 3
4.4500 4.4509 -.0009 1 0 3
A= 12.8863 DA= .0009
B= 12.2647 DB= .001
C= 14.208 DC= .004
GAMMA= 86.217 DGAMMA= .006
BETA = 82.76 DBETA = .01
ALPHA= 75.36 DALPHA= .02
V=2155.4
46. 26-1712
C7H9BrCuN
Triklin
Dexp Dcal d(D) h k l
7.3800 7.3592 .0208 0 1 1
6.9400 6.9689 -.0289 0 -1 1
6.6800 6.6592 .0208 -1 0 1
6.3500 6.3400 .0100 1 0 1
6.2500 6.2490 .0010 0 0 2
5.9500 5.9659 -.0159 1 1 0
5.5100 5.5232 -.0132 -1 1 0
5.3800 5.3761 .0039 1 1 1
5.2200 5.2265 -.0065 0 1 2
3.9900 3.9891 .0009 1 -1 2
3.9200 3.9184 .0016 1 2 0
3.5900 3.5895 .0005 -1 2 1
A= 7.633 DA= .001
B= 8.768 DB= .003
C= 12.535 DC= .008
GAMMA= 85.721 DGAMMA= .006
BETA = 92.931 DBETA = .005
ALPHA= 86.914 DALPHA= .003
V=834.6
47. 26-1713
C7H9ClCuN
Triklin
Dexp Dcal d(D) h k l
10.8000 10.7999 .0001 1 0 0
9.7200 9.7005 .0195 0 1 1
8.1500 8.1454 .0046 0 -1 1
8.0400 8.0345 .0055 0 1 2
7.8200 7.8212 -.0012 -1 0 2
7.2200 7.2236 -.0036 1 1 1
6.5400 6.5564 -.0164 -1 1 2
4.5600 4.5557 .0043 -2 1 2
4.3500 4.3524 -.0024 2 -1 1
4.1100 4.1095 .0005 1 2 3
3.9600 3.9599 .0001 2 -1 2
3.7200 3.7194 .0006 1 -2 2
A= 10.851 DA= .001
B= 10.0212 DB= .0007
C= 21.184 DC= .003
GAMMA= 88.51 DGAMMA= .02
BETA = 94.88 DBETA = .01
ALPHA= 77.286 DALPHA= .004
V= 2236.5
48. 26-1714
21H27ClCuN3
Triklin
Dexp Dcal d(D) h k l
10.4000 10.3930 .0070 0 1 1
8.8600 8.8549 .0051 1 0 0
8.0600 8.0827 -.0227 0 -1 1
6.9700 6.9805 -.0105 -1 1 0
6.7500 6.7492 .0008 -1 -1 1
6.4800 6.4622 .0178 0 1 2
5.9100 5.9073 .0027 -1 1 2
5.2600 5.2569 .0031 -1 2 1
5.1300 5.1317 -.0017 -1 -1 2
4.9400 4.9358 .0042 -1 2 0
4.5800 4.5891 -.0091 -2 0 1
4.4300 4.4275 .0025 2 0 0
A= 9.202 DA= .002
B= 12.92 DB= .01
C= 13.913 DC= .006
GAMMA= 89.39 DGAMMA= .04
BETA =105.17 DBETA = .07
ALPHA= 76.41 DALPHA= .05
V= 1547.2
49. 26-1716
C7H9CuIN
Triklin
Dexp Dcal d(D) h k l
10.7000 10.7031 -.0031 1 0 0
9.7600 9.7664 -.0064 -1 1 0
8.8900 8.9046 -.0146 0 0 1
8.3800 8.4416 -.0616 0 1 1
8.0100 8.0120 -.0020 1 0 1
6.7500 6.7713 -.0213 1 -1 1
6.4500 6.4502 -.0002 1 -2 0
5.5500 5.5446 .0054 -2 1 0
5.2800 5.2702 .0098 2 0 1
4.3900 4.3863 .0037 2 -2 1
4.2200 4.2208 -.0008 0 2 2
3.9800 3.9796 .0004 -2 3 0
A= 11.449 DA= .004
B= 13.868 DB= .001
C= 9.443 DC= .003
GAMMA=103.55 DGAMMA= .04
BETA = 77.53 DBETA = .03
ALPHA= 78.715 DALPHA= .008
V=1379.9
50. 26-1717
C21H27CuIN3
Triklin
Dexp Dcal d(D) h k l
9.8700 9.8663 .0037 1 0 0
8.8500 8.8806 -.0306 0 1 1
8.3800 8.3821 -.0021 -1 0 1
7.3000 7.2872 .0128 0 -1 1
7.0300 7.0292 .0008 -1 -1 1
6.7700 6.7788 -.0088 1 1 1
6.4400 6.4357 .0043 -1 1 1
5.5300 5.5052 .0248 0 1 2
4.9400 4.9331 .0069 2 0 0
4.8200 4.8298 -.0098 -1 -1 2
4.6800 4.6736 .0064 0 -2 1
4.5100 4.5113 -.0013 1 0 2
A= 10.4228 DA= .0007
B= 11.79 DB= .01
C= 11.72 DC= .01
GAMMA= 75.732 DGAMMA= .006
BETA = 99.79 DBETA = .08
ALPHA= 81.69 DALPHA= .09
V= 1349.1
51. 26-1718
C7H9CuIN
Triklin
Dexp Dcal d(D) h k l
7.6500 7.6573 -.0073 -1 0 1
6.9700 6.9682 .0018 0 1 1
6.3700 6.3783 -.0083 0 -1 1
5.8100 5.8195 -.0095 1 1 0
5.3300 5.3266 .0034 0 0 2
4.6700 4.6677 .0023 -2 0 1
4.4800 4.4876 -.0076 1 0 2
4.2800 4.2834 -.0034 -1 2 0
4.1100 4.1174 -.0074 2 -1 1
4.0200 4.0172 .0028 1 -1 2
3.9300 3.9330 -.0030 -1 -1 2
A= 10.212 DA= .007
B= 8.815 DB= .004
C= 10.792 DC= .003
GAMMA=103.95 DGAMMA= .05
BETA = 97.63 DBETA = .02
ALPHA= 83.17 DALPHA= .02
V=931.0
52. 26-1719
C28H20Cl3CuHgN4*3H2O
Triklin
Dexp Dcal d(D) h k l
9.0000 9.0040 -.0040 1 1 1
8.4000 8.4087 -.0087 0 1 1
6.1000 6.1026 -.0026 0 -1 1
6.0000 6.0028 -.0028 -1 0 1
5.4000 5.4014 -.0014 2 1 2
5.3000 5.2978 .0022 0 1 2
4.2800 4.2796 .0004 2 -1 1
4.1900 4.1892 .0008 2 1 3
3.8300 3.8299 .0001 1 2 3
3.7400 3.7401 -.0001 3 0 1
3.1900 3.1903 -.0003 2 1 4
2.3700 2.3700 .0000 4 3 1
2.0700 2.0700 .0000 2 -1 5
A= 12.025 DA= .007
B= 10.537 DB= .005
C= 12.877 DC= .007
GAMMA= 70.56 DGAMMA= .04
BETA = 58.03 DBETA = .03
ALPHA= 64.83 DALPHA= .03
V= 1240.3
53. 26-1720
C18H18CuIN6O3
Triklin
Dexp Dcal d(D) h k l
17.3000 18.6866 -1.3866 0 1 0
9.1400 9.1510 -.0110 0 0 1
7.4800 7.4889 -.0089 0 -2 1
5.9500 5.9563 -.0063 -1 -1 1
5.1900 5.1887 .0013 1 -2 0
4.6700 4.6717 -.0017 0 4 0
4.4100 4.4136 -.0036 1 -3 0
4.2200 4.2184 .0016 0 1 2
4.0100 4.0095 .0005 -1 1 2
3.7900 3.7899 .0001 0 -5 1
3.4400 3.4416 -.0016 -1 4 1
3.2700 3.2701 -.0001 1 0 2
A= 6.483 DA= .001
B= 19.279 DB= .002
C= 9.838 DC= .001
GAMMA= 86.34 DGAMMA= .01
BETA =106.738 DBETA = .005
ALPHA=104.24 DALPHA= .01
V=1140.9
54. 26-1721
C13H11CuINO2
Triklin
Dexp Dcal d(D) h k l
12.4000 12.4020 -.0020 1 0 0
11.5000 11.4997 .0003 -1 1 0
10.3000 10.2971 .0029 -1 1 1
10.1000 10.0996 .0004 1 1 0
8.2100 8.2133 -.0033 0 2 1
7.1300 7.1371 -.0071 0 3 0
6.1100 6.1083 .0017 -2 2 1
5.8300 5.8226 .0074 1 3 0
4.8100 4.8103 -.0003 2 -1 1
4.6400 4.6316 .0084 2 1 1
4.1700 4.1714 -.0014 -3 -1 1
3.9400 3.9396 .0004 0 -5 1
A= 13.4668 DA= .0009
B= 21.8379 DB= .0009
C= 12.698 DC= .001
GAMMA=100.657 DGAMMA= .003
BETA =111.37 DBETA = .01
ALPHA= 82.53 DALPHA= .02
V= 3409.8
55. 26-1722
C11H13CuINO2
Triklin
Dexp Dcal d(D) h k l
14.4000 14.4055 -.0055 0 0 1
9.6600 9.6594 .0006 0 -2 1
8.8000 8.8040 -.0040 1 1 0
7.6700 7.6689 .0011 -1 1 1
3.0700 3.0704 -.0004 2 4 1
7.2200 7.2194 .0006 1 1 1
6.8100 6.8069 .0031 1 -2 2
5.2100 5.2113 -.0013 1 -4 1
5.0300 5.0307 -.0007 1 -2 3
4.6500 4.6505 -.0005 -1 2 2
4.1200 4.1192 .0008 0 4 1
3.7300 3.7299 .0001 3 0 0
A= 11.702 DA= .001
B= 21.2200 DB= .0009
C= 15.643 DC= .004
GAMMA=106.30 DGAMMA= .01
BETA = 79.401 DBETA = .002
ALPHA=112.43 DALPHA= .02
V= 3433.4
56. 26-1723
C8H9CuINO2
Triklin
Dexp Dcal d(D) h k l
14.3000 14.3124 -.0124 1 0 0
8.1300 8.1295 .0005 -1 1 1
7.3300 7.3275 .0025 -1 -1 1
6.4300 6.4326 -.0026 2 1 0
5.5300 5.5289 .0011 0 3 1
4.8200 4.8219 -.0019 1 0 2
4.2500 4.2494 .0006 -2 1 2
4.0200 4.0181 .0019 -3 3 0
3.3600 3.3597 .0003 -1 0 3
2.7700 2.7699 .0001 2 5 2
2.7200 2.7202 -.0002 -3 6 1
2.5700 2.5700 .0000 5 2 1
A= 14.419 DA= .003
B= 18.8337 DB= .0008
C= 10.359 DC= .003
GAMMA= 96.87 DGAMMA= .01
BETA = 91.76 DBETA = .04
ALPHA= 85.052 DALPHA= .001
V= 2781.8
57. 26-1724
C12H17CuINO2
Triklin
12.3000 12.3090 -.0090 0 0 1
9.4600 9.4614 -.0014 1 0 0
8.1600 8.1659 -.0059 0 -2 1
6.5200 6.5234 -.0034 -1 1 1
5.6100 5.6098 .0002 1 2 0
5.2200 5.2236 -.0036 0 1 2
4.5600 4.5589 .0011 2 0 1
4.2900 4.2892 .0008 0 2 2
3.9300 3.9299 .0001 2 0 2
3.6700 3.6704 -.0004 -2 -2 1
3.5200 3.5197 .0003 -2 3 1
3.3700 3.3694 .0006 -1 -3 3
A= 9.8586 DA= .0004
B= 17.9893 DB= .0002
C= 13.2457 DC= .0008
GAMMA=105.468 DGAMMA= .001
BETA = 79.7102 DBETA = .0007
ALPHA=111.06 DALPHA= .01
V= 2104.0
58. 26-1725
C7H7CuINO2
Triklin
Dexp Dcal d(D) h k l
10.2000 10.2849 -.0849 0 1 0
8.6600 8.6587 .0013 -1 1 0
5.2900 5.2896 .0004 0 1 2
4.9500 4.9508 -.0008 -2 1 0
4.2300 4.2290 .0010 -2 2 2
3.9100 3.9101 -.0001 1 1 2
3.6600 3.6609 -.0009 2 -2 1
3.3500 3.3506 -.0006 -3 2 2
3.2200 3.2194 .0006 -3 2 0
2.8600 2.8613 -.0013 0 1 4
2.7000 2.6994 .0006 0 -1 4
2.5800 2.5798 .0002 -2 4 3
A= 10.534 DA= .008
B= 11.414 DB= .008
C= 12.311 DC= .002
GAMMA=114.95 DGAMMA= .02
BETA =109.459 DBETA = .002
ALPHA= 76.35 DALPHA= .03
V=1256.7
59. 26-1726
C6H4CuIN
Triklin
Dexp Dcal d(D) h k l
9.7400 9.7417 -.0017 0 1 1
8.4800 8.4824 -.0024 0 -1 1
7.7100 7.7063 .0037 1 1 0
6.9900 6.9885 .0015 0 2 0
6.1600 6.1591 .0009 1 1 1
5.7000 5.7010 -.0010 -1 1 2
4.9700 4.9681 .0019 -2 1 1
4.5100 4.5129 -.0029 2 1 0
4.2100 4.2111 -.0011 2 0 1
4.0500 4.0482 .0018 -2 2 2
3.9400 3.9393 .0007 -2 -1 2
3.4300 3.4310 -.0010 -2 2 3
A= 10.264 DA= .002
B= 14.25271 DB= .00003
C= 12.406 DC= .001
GAMMA= 97.98 DGAMMA= .01
BETA =104.962 DBETA = .005
ALPHA= 80.266 DALPHA= .002
V= 1719.5
60. 26-1727
C18H12CuIN3
Triklin
Dexp Dcal d(D) h k l
13.0000 12.9438 .0562 0 1 0
11.7000 11.7035 -.0035 1 0 0
7.3900 7.3843 .0057 -1 1 1
6.6400 6.6392 .0008 -1 -1 1
6.0600 6.0628 -.0028 1 0 1
4.9700 4.9701 -.0001 2 2 0
3.7700 3.7694 .0006 -3 1 1
3.6700 3.6697 .0003 1 0 2
3.3300 3.3296 .0004 1 4 0
3.1900 3.1900 .0000 3 0 1
2.9700 2.9697 .0003 -2 0 3
2.7100 2.7099 .0001 0 5 1
A= 12.5043 DA= .0001
B= 13.7253 DB= .0009
C= 9.3224 DC= .0003
GAMMA= 80.826 DGAMMA= .009
BETA =105.48 DBETA = .02
ALPHA= 76.194 DALPHA= .005
V= 1454.2
61. 26-1728
C6H6CuIN2O
Triklin
Dexp Dcal d(D) h k l
13.8000 13.8289 -.0289 1 0 0
11.5000 11.4894 .0106 0 1 0
10.4000 10.4022 -.0022 0 0 1
9.3800 9.4025 -.0225 1 0 1
8.4600 8.4620 -.0020 1 -1 1
7.3800 7.3917 -.0117 -2 1 0
5.1700 5.1712 -.0012 -1 2 1
4.6600 4.6598 .0002 -2 2 1
4.2000 4.2003 -.0003 1 -2 2
3.5300 3.5296 .0004 4 0 1
3.3200 3.3203 -.0003 -4 3 0
2.6600 2.6600 .0000 -2 -1 3
2.2100 2.2100 .0000 -4 0 3
2.1100 2.1100 .0000 0 5 2
2.0200 2.0200 .0000 5 -6 1
A= 15.594 DA= .001
B= 12.618 DB= .009
C= 10.73 DC= .01
GAMMA=114.42 DGAMMA= .03
BETA = 75.89 DBETA = .04
ALPHA= 95.27 DALPHA= .02
V= 1863.8
62. 26-1729
C14H16Cl2CuN4O
Triklin
Dexp Dcal d(D) h k l
7.9000 7.8998 .0002 0 1 0
6.9700 6.9701 -.0001 0 -1 2
6.7500 6.7484 .0016 -1 -1 2
6.5600 6.5595 .0005 1 0 2
6.2000 6.2003 -.0003 -1 0 3
5.9000 5.8962 .0038 0 -1 3
4.7000 4.7001 -.0001 -1 1 2
3.9500 3.9499 .0001 0 2 0
3.7700 3.7700 .0000 -2 0 4
3.7300 3.7301 -.0001 0 -2 3
3.6100 3.6101 -.0001 -2 -2 1
A= 9.527 DA= .001
B= 8.4363 DB= .0005
C= 23.248 DC= .001
GAMMA= 71.221 DGAMMA= .007
BETA =101.328 DBETA = .008
ALPHA=101.543 DALPHA= .006
V= 1715.6
63. 26-1730
C14H16Cl2CuN4O
Triklin
Dexp Dcal d(D) h k l
11.0000 11.0130 -.0130 1 0 0
8.4000 8.3941 .0059 0 1 1
8.2000 8.2153 -.0153 0 -1 1
7.9000 7.9024 -.0024 1 2 0
7.4000 7.4002 -.0002 -1 2 0
6.9500 6.9467 .0033 1 0 1
6.7000 6.6959 .0041 -1 -1 1
5.9900 5.9904 -.0004 1 2 1
4.4400 4.4401 -.0001 0 1 2
4.0900 4.0897 .0003 1 -4 1
3.9000 3.9000 -.0000 -1 2 2
3.7000 3.7001 -.0001 -2 4 0
A= 11.037 DA= .007
B= 21.264 DB= .001
C= 9.028 DC= .002
GAMMA= 86.26 DGAMMA= .03
BETA = 90.45 DBETA = .01
ALPHA= 88.33 DALPHA= .04
V= 2113.3
64. 26-1731
C16H18BrClCuN4O4
Triklin
Dexp Dcal d(D) h k l
8.8000 8.8139 -.0139 1 -1 0
8.6000 8.6189 -.0189 0 1 1
8.2500 8.2431 .0069 0 -1 1
7.4000 7.4013 -.0013 -1 2 0
6.5200 6.5234 -.0034 1 0 1
6.4000 6.4000 -.0000 -1 1 1
6.2200 6.2175 .0025 1 -1 1
5.8600 5.8590 .0010 0 4 0
5.6000 5.6008 -.0008 1 -2 1
4.8900 4.8907 -.0007 -1 -3 1
4.7400 4.7391 .0009 2 0 0
4.4900 4.4900 -.0000 -1 4 1
4.3100 4.3095 .0005 0 2 2
A= 9.479 DA= .002
B= 23.489 DB= .006
C= 9.048 DC= .003
GAMMA= 90.53 DGAMMA= .01
BETA = 90.284 DBETA = .007
ALPHA= 86.19568 DALPHA= .02607
V= 2010.0
65. 26-1732
C16H18Cl2CuN4O4
Rombik
Groupa 26, 28,51
Dexp. Dcal. d(D) h k l
10.1000 10.0523 .0477 1 0 1
9.6000 9.5993 .0007 0 1 0
8.0500 8.0580 -.0080 1 1 0
6.9900 6.9423 .0477 1 1 1
6.5300 6.5175 .0125 2 0 1
6.2100 6.2090 .0010 1 0 2
5.8700 5.8675 .0025 2 1 0
5.5300 5.5690 -.0390 0 1 2
5.2000 5.2134 -.0134 1 1 2
5.0100 5.0261 -.0161 2 0 2
3.9800 3.9674 .0126 1 1 3
3.2200 3.2205 -.0005 0 1 4
3.2200 3.2260 -.0060 1 2 3
a=14.827 b= 9.60 c=13.675
da= .005 db= .01 dc= .007
V=1946
Triklin
Dexp Dcal d(D) h k l
10.1000 10.1039 -.0039 0 1 1
9.6000 9.5960 .0040 0 -1 1
8.0500 8.0491 .0009 -1 0 1
6.9900 6.9899 .0001 1 -1 1
6.5300 6.5305 -.0005 0 1 2
6.2100 6.2116 -.0016 2 1 0
5.8700 5.8697 .0003 2 0 1
5.5300 5.5293 .0007 -1 0 2
5.2000 5.1993 .0007 2 2 2
5.0100 5.0105 -.0005 1 1 3
3.9800 3.9800 .0000 -1 2 2
3.2200 3.2200 -.0000 0 -4 1
A= 13.0416 DA= .0004
B= 14.7198 DB= .0009
C= 15.273 DC= .002
GAMMA= 65.39 DGAMMA= .01
BETA = 72.460 DBETA = .007
ALPHA= 80.19 DALPHA= .01
V=2538.0
66. 26-1734
C17H22BrClCuN4O5
Triklin
Dexp Dcal d(D) h k l
10.3000 10.2886 .0114 0 1 1
9.0500 9.0441 .0059 1 -1 1
8.3000 8.2961 .0039 0 -1 1
7.9000 7.9026 -.0026 1 1 1
7.3400 7.3401 -.0001 -1 1 1
7.1400 7.1338 .0062 1 0 2
6.4900 6.4963 -.0063 -1 2 0
6.3000 6.3015 -.0015 1 1 2
4.3700 4.3708 -.0008 1 -1 3
4.2400 4.2398 .0002 0 3 0
4.0700 4.0696 .0004 -2 3 0
3.8400 3.8401 -.0001 3 -2 2
3.6700 3.6700 -.0000 -2 2 2
A= 12.90 DA= .01
B= 13.473 DB= .001
C= 14.54 DC= .01
GAMMA=104.98 DGAMMA= .07
BETA = 67.44 DBETA = .08
ALPHA= 84.84 DALPHA= .02
V= 2203.7
67. 26-1735
17H22ClCuIN4O5
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.7000 10.6676 .0324 0 1 0
8.7000 8.6928 .0072 1 1 0
7.5000 7.4985 .0015 2 0 0
6.1300 6.1346 -.0046 2 1 0
5.8800 5.8876 -.0076 1 1 1
5.0200 5.0254 -.0054 1 2 0
4.5300 4.5266 .0034 3 1 0
4.0900 4.0908 -.0008 3 1 1
3.9200 3.9237 -.0037 -3 0 1
3.7500 3.7492 .0008 4 0 0
3.6400 3.6383 .0017 -2 2 1
a= 15.126 b= 10.667 c= 7.529 beta= 82.49
da=.008 db=.001 dc=.002 dbeta=.05
V= 1204.5
Triklin
Dexp Dcal d(D) h k l
10.7000 10.6982 .0018 1 0 0
8.7000 8.7060 -.0060 0 1 1
7.5000 7.4999 .0001 0 -1 1
6.1300 6.1307 -.0007 1 0 2
5.8800 5.8809 -.0009 -1 1 1
5.0200 5.0210 -.0010 -1 1 2
4.5300 4.5302 -.0002 1 0 3
4.0900 4.0897 .0003 2 2 2
3.9200 3.9199 .0001 1 2 3
3.7500 3.7500 .0000 0 -2 2
3.6400 3.6399 .0001 -1 2 2
3.5300 3.5303 -.0003 3 2 0
3.3400 3.3398 .0002 -3 -1 2
A= 11.4921 DA= .0008
B= 10.340 DB= .001
C= 15.311 DC= .003
GAMMA= 68.59 DGAMMA= .02
BETA = 87.02 DBETA = .02
ALPHA= 80.12 DALPHA= .01
V= 1668.6
68. 26-1736
C16H18Cl2CuN4O8*H2O
Rombik
Groupa 31, 59
Dexp. Dcal. d(D) h k l
10.1000 10.0744 .0256 2 0 0
9.3000 9.2292 .0708 1 1 0
8.0000 7.9553 .0447 2 0 1
7.5000 7.5189 -.0189 1 1 1
6.6900 6.7163 -.0263 3 0 0
6.2900 6.3147 -.0247 2 1 1
5.9700 5.9637 .0063 3 0 1
5.0200 5.0271 -.0071 1 2 0
4.3500 4.3475 .0025 2 2 1
4.1100 4.1073 .0027 3 2 0
3.9900 3.9900 -.0000 0 1 3
3.9900 3.9776 .0124 4 0 2
a=20.15 b=10.38 c=12.97
da= .05 db= .021 dc= .01
V=2712
Monoklin
Dexp Dcal d(D) h k l
10.1000 10.1033 -.0033 0 0 1
9.3000 9.3078 -.0078 1 1 0
8.0000 7.9815 .0185 -1 0 1
7.5000 7.4962 .0038 1 0 1
6.6900 6.6833 .0067 1 1 1
6.2900 6.2844 .0056 1 2 0
5.9700 5.9584 .0116 0 2 1
5.0200 5.0192 .0008 2 0 1
4.3500 4.3508 -.0008 1 1 2
4.1100 4.1124 -.0024 1 3 1
3.9900 3.9908 -.0008 -2 0 2
a= 12.019 b= 14.76 c= 10.12 beta= 93.6
da= 8.493423E-03 db= .01 dc=.02 dbeta=.1
V= 1792
69. 26-1737
C15H18Cl2CuN4O
Triklin
Dexp Dcal d(D) h k l
16.0000 15.9864 .0136 0 0 1
10.6000 10.5985 .0015 1 0 0
8.9000 8.8964 .0036 0 -2 1
8.6000 8.5986 .0014 -1 1 0
8.1500 8.1491 .0009 1 2 0
7.4500 7.4516 -.0016 -1 1 1
6.3300 6.3300 -.0000 1 0 2
5.9200 5.9194 .0006 -1 2 1
5.3100 5.3101 -.0001 0 -1 3
3.7900 3.7900 .0000 -2 0 3
3.7000 3.7000 -.0000 2 -3 1
3.3700 3.3700 -.0000 -1 -6 1
A= 10.8632 DA= .0004
B= 20.38 DB= .001
C= 16.123 DC= .002
GAMMA= 77.36839 DGAMMA= .00006
BETA = 92.566 DBETA = .006
ALPHA= 97.40 DALPHA= .01
V= 3453.5
70. 26-1738
C15H18Br2CuN4O
Monoklin
Grupa 4,11
Dexp. Dcal. d(D) h k l
9.4500 9.5010 -.0510 0 1 1
7.6300 7.6454 -.0154 0 0 2
7.2200 7.2185 .0015 -1 0 2
6.4800 6.4673 .0127 0 1 2
6.0500 6.0629 -.0129 0 2 0
5.1300 5.1257 .0043 -1 0 3
4.8700 4.8624 .0076 -2 1 2
4.0800 4.0844 -.0044 1 1 3
3.4800 3.4793 .0007 3 1 1
3.1400 3.1393 .0007 -1 0 5
3.1000 3.1013 -.0013 -2 2 4
2.8100 2.8105 -.0005 1 0 5
a= 12.180 b= 12.13 c= 15.704 beta= 103.17
da=.008 db=.04 dc=.005 dbet=.09
V=2253
Triklin
Dexp Dcal d(D) h k l
9.4500 9.4501 -.0001 0 1 1
7.6300 7.6309 -.0009 0 -1 1
7.2200 7.2225 -.0025 -1 0 1
6.4800 6.4837 -.0037 0 2 0
6.0500 6.0477 .0023 1 0 1
5.1300 5.1298 .0002 0 -2 1
4.8700 4.8699 .0001 -1 1 2
4.0800 4.0801 -.0001 2 0 0
3.4800 3.4799 .0001 -1 3 2
3.1400 3.1401 -.0001 1 0 3
3.1000 3.0979 .0021 0 4 2
2.8100 2.8100 .0000 -2 3 2
A= 8.33617 DA= .0003
B= 13.329 DB= .001
C= 11.4275 DC= .0005
GAMMA= 84.779 DGAMMA= .004
BETA = 99.308 DBETA = .002
ALPHA= 78.760 DALPHA= .004
V= 1219.05
71. 26-1739
C16H20BrClCuN4O5
Triklin
Dexp Dcal d(D) h k l
9.9000 9.8996 .0004 0 1 1
9.2000 9.2059 -.0059 -1 1 1
7.7300 7.7282 .0018 0 -1 1
7.2400 7.2386 .0014 1 1 1
6.7700 6.7709 -.0009 1 -1 1
6.4700 6.4722 -.0022 -2 1 1
5.9000 5.8997 .0003 2 1 0
5.6000 5.5982 .0018 0 -2 1
5.4300 5.4284 .0016 2 0 1
5.0800 5.0788 .0012 -1 2 2
4.5600 4.5607 -.0007 1 3 1
4.2500 4.2507 -.0007 1 -1 2
A= 14.390 DA= .002
B= 17.029 DB= .001
C= 10.836 DC= .003
GAMMA=104.65 DGAMMA= .04
BETA =100.94 DBETA = .02
ALPHA= 72.495 DALPHA= .007
V=2431.1
72. 26-1740
C16H20BrClCuN4O5
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
9.2500 9.2398 .0102 0 1 1
7.8500 7.8762 -.0262 1 1 0
7.2900 7.2800 .0100 -1 0 1
6.8600 6.8852 -.0252 1 0 1
6.5200 6.5246 -.0046 0 2 1
6.3300 6.3220 .0080 1 1 1
5.3800 5.3782 .0018 -1 2 1
4.6200 4.6199 .0001 0 2 2
4.2900 4.2899 .0001 -2 0 1
3.9900 3.9900 -.0000 0 4 0
3.6400 3.6400 -.0000 -2 0 2
a= 9.070 b= 15.9601 c= 11.3506 beta= 93.27
da=.009 db=.0001 dc=.0008 dbet= .07
V=1639.5
Triklin
Dexp Dcal d(D) h k l
9.2500 9.2414 .0086 1 0 0
7.8500 7.8536 -.0036 0 1 0
7.2900 7.2805 .0095 1 0 1
6.8600 6.8526 .0074 1 1 0
6.5200 6.5188 .0012 -1 0 1
6.3300 6.3320 -.0020 -1 -1 1
5.3800 5.3800 -.0000 -1 1 0
4.6200 4.6207 -.0007 2 0 0
4.2900 4.2900 .0000 -1 0 2
3.9900 3.9905 -.0005 2 1 1
3.6400 3.6402 -.0002 2 0 2
A= 9.526 DA= .003
B= 8.52236 DB= .00008
C= 10.879 DC= .001
GAMMA= 77.449 DGAMMA= .002
BETA = 88.04 DBETA = .05
ALPHA=108.32 DALPHA= .04
V= 813.47
73. 26-1743
C24H16Cl2CuN4O10
Triklin
Dexp Dcal d(D) h k l
6.9600 6.9190 .0410 0 1 1
6.7000 6.7073 -.0073 1 1 0
6.5100 6.5272 -.0172 0 -1 1
6.4100 6.4220 -.0120 1 0 1
5.5000 5.5021 -.0021 1 -1 1
5.3000 5.3021 -.0021 0 2 1
5.0900 5.0883 .0017 1 2 1
4.9500 4.9545 -.0045 0 -2 1
4.3700 4.3657 .0043 1 -2 1
4.0700 4.0660 .0040 1 3 0
4.0200 4.0230 -.0030 1 3 1
3.8600 3.8590 .0010 -1 -2 1
A= 7.7322 DA= .0002
B= 13.89 DB= .01
C= 8.20 DC= .01
GAMMA= 82.09 DGAMMA= .05
BETA = 70.38256 DBETA = .03
ALPHA= 83.70 DALPHA= .03
V= 818.1
74. 26-1744
C6H7BrCuN
Triklin
Dexp Dcal d(D) h k l
10.8000 10.8096 -.0096 1 1 0
9.5900 9.5837 .0063 1 1 1
8.2300 8.2277 .0023 1 -1 1
7.5900 7.5928 -.0028 0 2 0
7.0500 7.0499 .0001 2 0 1
6.5800 6.5819 -.0019 -1 -1 1
6.1300 6.1382 -.0082 0 -2 1
5.7400 5.7293 .0107 2 2 1
5.3500 5.3515 -.0015 -1 -2 1
4.3800 4.3843 -.0043 3 0 0
4.0000 4.0008 -.0008 -1 3 1
3.7900 3.7891 .0009 2 -3 1
A= 14.669 DA= .003
B= 15.460 DB= .003
C= 12.007 DC= .004
GAMMA= 79.35 DGAMMA= .01
BETA = 65.19 DBETA = .01
ALPHA= 83.93 DALPHA= .01
V= 2428
75. 26-1745
C18H21BrCuN3
Triklin
Dexp Dcal d(D) h k l
8.5900 8.5844 .0056 1 0 0
8.3900 8.3884 .0016 0 1 1
8.0400 8.0452 -.0052 -1 0 1
7.5000 7.5086 -.0086 -1 -1 1
7.2600 7.2649 -.0049 1 0 2
7.0000 7.0056 -.0056 -1 0 2
6.4100 6.4065 .0035 0 0 4
4.8500 4.8531 -.0031 -1 1 2
4.5100 4.5088 .0012 2 1 0
4.3300 4.3264 .0036 -1 0 5
4.2600 4.2606 -.0006 2 0 1
4.1200 4.1189 .0011 2 0 2
A= 9.1041 DA= .0008
B= 9.876 DB= .001
C= 25.811 DC= .002
GAMMA= 70.678 DGAMMA= .003
BETA = 90.039 DBETA = .005
ALPHA= 96.492 DALPHA= .003
V=2247
76. 26-1746
C18H21BrCuN3
Triklin
Dexp Dcal d(D) h k l
7.3600 7.3981 -.0381 1 0 0
6.5600 6.5669 -.0069 1 1 0
4.8700 4.8609 .0091 -1 -1 1
4.2300 4.2278 .0022 -1 1 0
4.0600 4.0574 .0026 1 1 1
3.6600 3.6615 -.0015 1 -1 1
3.2500 3.2509 -.0009 0 -2 1
3.1800 3.1793 .0007 2 1 1
2.9700 2.9699 .0001 0 0 2
2.9100 2.9094 .0006 -1 -1 2
2.7500 2.7510 -.0010 -1 0 2
2.5700 2.5704 -.0004 3 2 0
2.5400 2.5401 -.0001 1 1 2
A= 8.161 DA= .006
B= 7.702 DB= .003
C= 6.0741 DC= .0009
GAMMA= 65.04 DGAMMA= .04
BETA = 94.79 DBETA = .03
ALPHA=102.07 DALPHA= .03
V=338.2
77. 26-1747
C6H7BrCuN
Triklin
Dexp Dcal d(D) h k l
8.9300 8.9222 .0078 1 0 0
6.9700 6.9872 -.0172 1 1 0
6.5900 6.5781 .0119 0 0 1
5.2300 5.2165 .0135 1 -1 1
4.5900 4.5900 .0000 0 1 1
4.3100 4.3087 .0013 1 2 0
4.1200 4.1323 -.0123 -1 -2 1
3.8300 3.8314 -.0014 1 -2 1
3.7100 3.7115 -.0015 -2 1 0
3.5700 3.5710 -.0010 2 1 1
3.4700 3.4704 -.0004 -2 0 1
3.3400 3.3405 -.0005 1 -1 2
3.3100 3.3065 .0035 -2 -2 1
3.1200 3.1188 .0012 0 -3 1
A= 9.120 DA= .001
B= 9.532 DB= .001
C= 7.017 DC= .001
GAMMA= 81.234 DGAMMA= .003
BETA = 85.19 DBETA = .01
ALPHA=108.73 DALPHA= .02
V=565.0
78. 26-1748
C6H7ClCuN
Triklin
Dexp Dcal d(D) h k l
10.8000 10.7986 .0014 -1 1 0
9.6300 9.6020 .0280 1 1 0
7.6500 7.6264 .0236 0 1 1
7.2100 7.2019 .0081 1 0 1
6.3000 6.3205 -.0205 -1 2 0
5.9300 5.9303 -.0003 0 -1 1
5.3200 5.3171 .0029 -2 0 1
4.7800 4.7732 .0068 3 1 0
4.0800 4.0815 -.0015 1 3 0
3.9400 3.9414 -.0014 1 1 2
3.7500 3.7526 -.0026 -3 -1 1
3.6300 3.6292 .0008 -4 2 0
A= 16.27192 DA= .00004
B= 13.67582 DB= .00008
C= 8.02160 DC= .00004
GAMMA= 95.5963 DGAMMA= .0006
BETA = 86.3805 DBETA = .0005
ALPHA= 74.1136 DALPHA= .0002
V=1701.5
79. 26-1749
C18H21ClCuN3
Triklin
Dexp Dcal d(D) h k l
9.8000 9.7969 .0031 1 1 0
9.4600 9.5068 -.0468 -2 1 0
8.6200 8.6133 .0067 2 0 0
8.0100 8.0120 -.0020 0 2 0
7.2900 7.2867 .0033 1 0 1
7.0300 7.0442 -.0142 -1 1 1
6.3700 6.3553 .0147 -3 1 0
5.3700 5.3773 -.0073 2 -2 1
4.8100 4.8094 .0006 3 0 1
4.7200 4.7158 .0042 -2 -1 1
4.4900 4.4844 .0056 2 -3 1
A= 19.148 DA= .003
B= 17.881 DB= .008
C= 7.7918 DC= .0006
GAMMA=115.46 DGAMMA= .03
BETA = 87.967 DBETA = .006
ALPHA= 84.53 DALPHA= .01
V=2390
80. 26-1750
C18H21ClCuN3
Rombik
Groupa 16
Dexp. Dcal. d(D) h k l
7.5200 7.4992 .0208 1 0 0
6.6600 6.6643 -.0043 1 1 0
4.9200 4.9159 .0041 0 0 3
4.9200 4.9197 .0003 1 2 1
4.2600 4.2598 .0002 1 2 2
4.0800 4.0718 .0082 0 2 3
3.6800 3.6870 -.0070 0 0 4
3.2600 3.2593 .0007 0 4 2
3.1900 3.1923 -.0023 1 4 1
2.9800 2.9813 -.0013 2 0 3
2.9200 2.9205 -.0005 2 1 3
2.7600 2.7582 .0018 2 2 3
2.7100 2.7103 -.0003 1 5 0
2.5200 2.5194 .0006 0 3 5
a= 7.499 b=14.534 c=14.748
da= .002 db= .004 dc= .004
V=1607.4
81. 26-1751
C6H7ClCuN
Triklin
Dexp Dcal d(D) h k l
9.1400 9.1198 .0202 0 0 1
8.0000 8.0018 -.0018 1 1 0
6.2200 6.2329 -.0129 0 -2 1
5.9300 5.9344 -.0044 1 2 0
5.6700 5.6647 .0053 -1 -1 1
5.2200 5.2375 -.0175 -1 2 0
4.9400 4.9424 -.0024 -1 -2 1
4.7500 4.7470 .0030 0 3 0
4.6100 4.6118 -.0018 0 -1 2
4.3100 4.3160 -.0060 2 1 1
4.1000 4.1002 -.0002 1 -2 2
3.7600 3.7594 .0006 -1 -1 2
A= 9.229 DA= .001
B= 14.567 DB= .007
C= 9.593 DC= .006
GAMMA= 85.41 DGAMMA= .02
BETA = 75.77 DBETA = .02
ALPHA= 99.72 DALPHA= .05
V= 1222.1
82. 26-1752
C18H21CuIN3
Triklin
Dexp Dcal d(D) h k l
9.9600 9.9575 .0025 1 0 0
9.9200 9.9193 .0007 -1 1 0
9.7200 9.7453 -.0253 0 0 1
8.3500 8.3659 -.0159 0 -1 1
7.5100 7.5258 -.0158 -1 0 1
7.1700 7.1757 -.0057 0 1 1
4.7300 4.7165 .0135 -2 0 1
4.6600 4.6481 .0119 -1 0 2
4.5700 4.5701 -.0001 1 2 0
4.1900 4.1913 -.0013 0 3 0
3.3300 3.3313 -.0013 -2 -2 1
3.0900 3.0910 -.0010 0 -2 3
A= 10.8636 DA= .0004
B= 13.7471 DB= .0005
C= 9.909 DC= .001
GAMMA=112.16 DGAMMA= .01
BETA = 95.19 DBETA = .02
ALPHA= 96.38 DALPHA= .01
V= 1347.96
83. 26-1753
C6H7CuIN
Triklin
Dexp Dcal d(D) h k l
10.4000 10.3987 .0013 1 0 0
9.5100 9.5240 -.0140 1 1 0
8.6300 8.6274 .0026 0 0 1
7.6300 7.6343 -.0043 0 -1 1
6.7100 6.7157 -.0057 -1 1 0
5.8300 5.8319 -.0019 0 2 0
4.9800 4.9774 .0026 -1 -2 1
4.3100 4.3099 .0001 0 -1 2
4.2100 4.2120 -.0020 -2 -1 1
3.9600 3.9593 .0007 -2 0 1
3.8500 3.8501 -.0001 2 1 2
3.6800 3.6796 .0004 3 1 0
3.6000 3.5998 .0002 -1 2 1
A= 11.434 DA= .003
B= 12.44 DB= .02
C= 9.080 DC= .002
GAMMA= 72.42 DGAMMA= .06
BETA = 76.00 DBETA = .04
ALPHA= 95.20 DALPHA= .06
V= 1170.2
84. 26-1754
18H21CuIN3
Triklin
Dexp Dcal d(D) h k l
7.3100 7.3329 -.0229 1 0 0
6.7300 6.7255 .0045 1 1 1
4.2400 4.2368 .0032 1 -1 1
4.1100 4.1106 -.0006 0 2 0
3.8200 3.8201 -.0001 0 0 2
3.6400 3.6407 -.0007 0 1 2
4.3800 4.3830 -.0030 1 2 0
3.2200 3.2199 .0001 2 0 2
3.0600 3.0589 .0011 1 3 1
2.9500 2.9500 -.0000 -2 1 0
2.7700 2.7695 .0005 2 3 0
2.7400 2.7404 -.0004 0 3 0
2.6400 2.6402 -.0002 0 -2 2
2.5000 2.5002 -.0002 3 3 2
A= 8.714 DA= .005
B= 9.309 DB= .002
C= 8.43371 DC= .00410
GAMMA= 62.87 DGAMMA= .02
BETA = 65.92 DBETA = .03
ALPHA= 73.34938 DALPHA= .03482
V=551.2
85. 26-1755
C6H7CuIN
Rombik
Groupa 29,57
Dexp. Dcal. d(D) h k l
9.1600 9.0895 .0705 0 1 0
5.3200 5.2967 .0233 1 1 1
4.4400 4.4420 -.0020 3 1 0
3.9100 3.9055 .0045 2 2 0
3.6000 3.6034 -.0034 0 0 2
3.4300 3.4337 -.0037 2 2 1
3.2700 3.2720 -.0020 1 1 2
2.9700 2.9719 -.0019 1 3 0
2.7100 2.7091 .0009 4 2 1
2.5200 2.5182 .0018 4 1 2
2.4500 2.4488 .0012 3 3 1
2.3900 2.3916 -.0016 5 2 1
a=15.274 b= 9.089 c= 7.207
da= .006 db= .002 dc= .001
V=1000.6
86. 26-1756
C3H5CuO2
Triklin
Dexp Dcal d(D) h k l
13.6000 13.6065 -.0065 1 0 0
12.3100 12.3179 -.0079 0 1 0
10.7200 10.7140 .0060 -1 1 0
6.5700 6.5690 .0010 0 -2 1
5.7900 5.7914 -.0014 0 0 2
5.0800 5.0796 .0004 -2 -1 1
4.7300 4.7301 -.0001 3 -1 1
4.3100 4.3088 .0012 1 1 2
3.7400 3.7403 -.0003 2 1 2
3.3400 3.3401 -.0001 0 1 3
3.2100 3.2101 -.0001 1 3 1
3.0100 3.0113 -.0013 -2 1 3
A= 14.444 DA= .004
B= 14.095 DB= .002
C= 12.7781 DC= .0001
GAMMA=109.168 DGAMMA= .008
BETA = 78.472 DBETA = .03
ALPHA=114.652 DALPHA= .001
V=2228
87. 26-1757
C8H11CuIN
Triklin
Dexp Dcal d(D) h k l
12.0000 12.0088 -.0088 1 0 0
10.9000 10.9016 -.0016 -1 1 0
9.9400 9.9143 .0257 -1 0 1
9.2500 9.1955 .0545 1 -1 1
8.7500 8.7453 .0047 1 0 1
8.3300 8.3383 -.0083 -1 1 1
7.2600 7.3009 -.0409 0 0 2
6.6100 6.6064 .0036 -2 1 0
4.8700 4.8672 .0028 0 0 3
4.4400 4.4418 -.0018 1 2 0
4.1700 4.1691 .0009 -2 2 2
3.8300 3.8302 -.0002 2 -3 2
A= 13.303 DA= .002
B= 12.783 DB= .001
C= 14.998 DC= .003
GAMMA=114.485 DGAMMA= .004
BETA = 91.98 DBETA = .03
ALPHA=101.03 DALPHA= .02
V=2260
88. 26-1758
C16H16Cl2CuN8O12*H2O
Triklin
Dexp Dcal d(D) h k l
10.0000 10.0193 -.0193 0 1 1
8.6600 8.6884 -.0284 0 -1 1
7.6200 7.6209 -.0009 -1 0 1
4.9200 4.9225 -.0025 2 0 1
4.6000 4.6049 -.0049 0 -1 3
4.4800 4.4825 -.0025 2 1 0
4.3500 4.3442 .0058 0 -2 2
4.2100 4.2080 .0020 -1 1 3
4.1700 4.1694 .0006 1 2 3
4.1100 4.1121 -.0021 1 -2 2
4.0400 4.0420 -.0020 1 0 4
4.0000 4.0014 -.0014 0 1 4
A= 9.901 DA= .005
B= 11.49 DB= .01
C= 16.743 DC= .008
GAMMA= 86.80 DGAMMA= .07
BETA = 77.55 DBETA = .03
ALPHA= 80.87 DALPHA= .05
V= 1835.7
89. 26-1759
C5H5BrCuN
Triklin
Dexp Dcal d(D) h k l
9.0900 9.0898 .0002 0 1 1
8.5800 8.5843 -.0043 1 0 0
7.5000 7.5053 -.0053 0 -1 1
5.4400 5.4436 -.0036 0 -2 0
4.6000 4.6002 -.0002 1 1 2
4.5100 4.5119 -.0019 -2 0 1
3.6800 3.6774 .0026 0 3 1
3.6300 3.6291 .0009 0 3 0
3.5100 3.5087 .0013 -2 -1 3
3.2100 3.2089 .0011 2 -1 1
3.1000 3.0996 .0004 -2 2 1
3.0000 2.9995 .0005 -3 0 1
A= 9.386 DA= .001
B= 11.528 DB= .003
C= 13.127 DC= .004
GAMMA= 74.171 DGAMMA= .004
BETA =105.593 DBETA = .009
ALPHA= 84.06 DALPHA= .01
V= 1292.1
90. 26-1760
C15H15BrCuN3
Triklin
Dexp Dcal d(D) h k l
9.5100 9.5000 .0100 1 1 0
8.5100 8.5103 -.0003 0 1 1
7.9000 7.9236 -.0236 0 -1 1
7.4700 7.4810 -.0110 1 2 0
7.1500 7.1522 -.0022 -1 0 1
6.8400 6.8539 -.0139 -1 -1 1
6.4200 6.3889 .0311 1 1 1
6.1900 6.1837 .0063 0 -2 1
6.0300 6.0311 -.0011 0 3 0
5.7500 5.7518 -.0018 1 2 1
4.8500 4.8515 -.0015 0 -3 1
4.7200 4.7128 .0072 -1 3 0
A= 10.08530 DA= .00005
B= 18.54810 DB= .00001
C= 9.28754 DC= .00000
GAMMA= 78.32748 DGAMMA= .00005
BETA = 95.9994 DBETA = .0002
ALPHA= 86.2896 DALPHA= .0001
V=1685.5
91. 26-1761
C5H5ClCuN
Triklin
Dexp Dcal d(D) h k l
8.9300 8.9305 -.0005 1 0 0
8.2800 8.2873 -.0073 1 1 0
7.2500 7.2479 .0021 1 1 1
5.3500 5.3576 -.0076 -1 -1 1
4.4800 4.4802 -.0002 1 2 1
4.2800 4.2711 .0089 2 2 1
3.5400 3.5384 .0016 -1 -1 2
3.5000 3.4992 .0008 1 2 2
3.4000 3.4017 -.0017 -2 -2 1
3.1200 3.1192 .0008 -1 -2 2
2.9800 2.9820 -.0020 -1 1 2
2.9200 2.9197 .0003 3 1 3
A= 10.9149 DA= .0008
B= 9.74229 DB= .00002
C= 9.96407 DC= .0001
GAMMA= 64.521 DGAMMA= .001
BETA = 65.095 DBETA = .001
ALPHA= 84.454 DALPHA= .001
V=862.8
92. 26-1762
C15H15ClCuN3
Triklin
Dexp Dcal d(D) h k l
8.2700 8.2755 -.0055 1 0 0
8.0400 8.0332 .0068 0 1 0
7.6200 7.6142 .0058 -1 0 1
6.6200 6.6280 -.0080 1 1 0
6.6100 6.6080 .0020 0 -1 1
5.9700 5.9726 -.0026 -1 -1 1
4.8200 4.8202 -.0002 0 0 3
4.1100 4.1088 .0012 2 1 0
3.8500 3.8501 -.0001 2 0 1
3.6500 3.6499 .0001 -2 -1 2
3.4800 3.4800 .0000 -1 0 4
A= 8.5714 DA= .0001
B= 8.350 DB= .008
C= 14.697 DC= .009
GAMMA= 76.78 DGAMMA= .04
BETA = 95.43 DBETA = .06
ALPHA= 82.77 DALPHA= .03
V= 1007.4
93. 26-1763
C5H5CuIN
Triklin
Dexp Dcal d(D) h k l
9.4500 9.4190 .0310 1 0 1
8.0700 8.0789 -.0089 0 1 1
7.0000 6.9978 .0022 -1 1 1
6.5000 6.4893 .0107 0 0 2
6.1100 6.1158 -.0058 1 1 0
5.2200 5.2215 -.0015 1 -1 2
5.0500 5.0495 .0005 1 1 2
4.5400 4.5366 .0034 0 2 1
4.3600 4.3596 .0004 1 0 3
4.1200 4.1233 -.0033 0 -2 1
3.9600 3.9608 -.0008 -2 1 2
3.8100 3.8084 .0016 1 2 0
A= 11.696 DA= .005
B= 9.69262 DB= .00001
C= 13.350 DC= .007
GAMMA=107.22 DGAMMA= .05
BETA = 79.60 DBETA = .03
ALPHA= 84.888 DALPHA= .002
V= 1405.4
94. 26-1764
C10H9CuIN
Triklin
Dexp Dcal d(D) h k l
8.8700 8.8803 -.0103 1 0 0
8.0800 8.0909 -.0109 0 1 0
7.5900 7.6316 -.0416 0 0 1
6.5300 6.5392 -.0092 0 -1 1
6.1700 6.1721 -.0021 1 1 0
4.8700 4.8686 .0014 1 0 1
4.1900 4.1855 .0045 -1 -2 1
3.9600 3.9592 .0008 -2 -1 2
3.7800 3.7782 .0018 -2 0 2
3.3700 3.3693 .0007 -2 -2 2
3.1300 3.1299 .0001 0 1 2
2.9700 2.9684 .0016 2 1 1
A= 9.9863 DA= .0004
B= 8.609 DB= .001
C= 8.9221 DC= .0009
GAMMA= 78.213 DGAMMA= .003
BETA =117.02 DBETA = .01
ALPHA=109.689 DALPHA= .009
V= 642.3
95. 26-1765
C9H7CuIN
Triklin
Dexp Dcal d(D) h k l
10.9000 10.9055 -.0055 -1 1 0
10.2000 10.1919 .0081 0 0 1
7.9400 7.9332 .0068 1 0 1
6.9300 6.9301 -.0001 0 -2 1
4.9200 4.9214 -.0014 -2 -1 1
4.2900 4.2918 -.0018 -2 3 0
3.7400 3.7400 -.0000 3 1 0
3.5300 3.5306 -.0006 -1 4 0
3.2800 3.2802 -.0002 1 0 3
2.7900 2.7904 -.0004 -3 -3 1
2.6000 2.5999 .0001 4 2 0
2.4500 2.4500 -.0000 -2 4 2
A= 13.273 DA= .006
B= 15.2721 DB= .0001
C= 11.020 DC= .002
GAMMA=107.571 DGAMMA= .006
BETA = 83.47 DBETA = .02
ALPHA=112.367 DALPHA= .008
V= 1969.6
96. 26-1766
C18H14CuIN2
Triklin
Dexp Dcal d(D) h k l
11.1000 11.0660 .0340 0 0 1
9.6800 9.6802 -.0002 -1 1 0
8.9900 8.9912 -.0012 0 -1 1
5.8800 5.8799 .0001 1 -1 2
5.1900 5.1903 -.0003 2 0 2
4.6900 4.6903 -.0003 3 -1 2
3.8400 3.8403 -.0003 1 -3 1
3.7600 3.7606 -.0006 4 -2 1
3.6900 3.6906 -.0006 3 -1 3
3.2300 3.2293 .0007 4 -2 3
3.0900 3.0907 -.0007 3 -3 3
2.9000 2.9002 -.0002 1 -2 4
A= 16.936 DA= .006
B= 11.5222 DB= .0002
C= 12.0395 DC= .0009
GAMMA=103.89 DGAMMA= .02
BETA = 72.226 DBETA = .005
ALPHA=108.36 DALPHA= .01
V= 2096.3