1. 24-0247
Cs3Cu2Cl5
Triklin
Dexp Dcal d(D) h k l
4.4900 4.4922 -.0022 0 1 1
4.4200 4.4199 .0001 1 1 0
4.3800 4.3821 -.0021 0 -1 1
3.9100 3.9113 -.0013 2 1 1
3.9000 3.9001 -.0001 0 -1 2
3.8100 3.8106 -.0006 2 1 0
3.5200 3.5215 -.0015 -2 -1 1
3.1100 3.1096 .0004 0 0 5
2.9100 2.9107 -.0007 -2 0 4
2.5900 2.5897 .0003 1 -1 5
2.7200 2.7200 .0000 -1 -1 4
2.5500 2.5494 .0006 4 1 4
A= 12.98 DA= .02
B= 4.6470 DB= .0009
C= 16.365 DC= .007
GAMMA= 85.60 DGAMMA= .06
BETA = 72.0 DBETA = .06
ALPHA= 86.18 DALPHA= .03
V= 935.1
2. 24-0340
CuTi2)5
Triklin
Dexp Dcal d(D) h k l
2.8590 2.8590 .0000 0 1 2
2.5560 2.5565 -.0005 -1 -1 2
2.3830 2.3844 -.0014 0 -1 2
2.1150 2.1186 -.0036 -1 1 2
1.9300 1.9309 -.0009 -2 -1 2
1.7230 1.7229 .0001 1 -1 2
1.7000 1.7004 -.0004 -1 -1 4
1.6570 1.6571 -.0001 2 2 0
1.5380 1.5382 -.0002 -2 -2 2
1.5130 1.5134 -.0004 2 2 2
1.4260 1.4265 -.0005 -1 -1 5
1.3840 1.3842 -.0002 2 2 3
A= 4.2241 DA= .0002
B= 3.8018 DB= .0004
C= 8.0643 DC= .0005
GAMMA= 67.616 DGAMMA= .003
BETA = 99.722 DBETA = .006
ALPHA= 84.23 DALPHA= .01
V=116.0
3. 24-0352
Monoklin
CuBeF3OH
Grupa 3
Dexp Dcal d(D) h k l
3.5000 3.4992 .0008 -1 1 2
3.2700 3.2679 .0021 2 1 0
2.7100 2.7089 .0011 1 1 2
2.6500 2.6500 -.0000 -2 1 3
2.4920 2.4911 .0009 0 2 1
2.3070 2.3072 -.0002 -4 0 1
2.2090 2.2103 -.0013 0 2 2
1.9310 1.9310 .0000 3 0 2
1.7410 1.7410 -.0000 0 3 0
1.7070 1.7067 .0003 -3 2 4
1.5460 1.5460 .0000 3 1 3
a= 9.518 b= 5.2232 c= 9.429 beta= 118.329
da= .001 db=.0008 dc=.002 dbeta=.003
V= 412.6
4. 24-0373
CuSe2O5
Grupa 324-0373
Dexp Dcal d(D) h k l
5.7000 5.7076 -.0076 1 1 0
4.4700 4.4647 .0053 2 1 0
4.1000 4.0981 .0019 0 0 2
3.0700 3.0701 -.0001 -2 0 2
2.9920 2.9919 .0001 0 2 1
2.8520 2.8538 -.0018 2 2 0
2.6800 2.6792 .0008 -4 0 1
2.5300 2.5289 .0011 0 2 2
2.4230 2.4231 -.0001 5 0 2
2.0670 2.0669 .0001 1 3 1
1.9050 1.9045 .0005 3 3 1
1.5490 1.5491 -.0001 8 1 2
a= 12.862 b= 6.4274 c= 8.493 beta= 74.81
da= .001 db=.0001 dc=.001 dbeta=.06
V= 677.6
Triklin
Dexp Dcal d(D) h k l
5.7000 5.7058 -.0058 0 1 0
4.4700 4.4694 .0006 1 0 2
4.1000 4.1026 -.0026 0 -1 2
3.0700 3.0705 -.0005 1 1 2
2.9920 2.9922 -.0002 -1 -1 2
2.8520 2.8529 -.0009 0 2 0
2.6800 2.6818 -.0018 0 -2 2
2.5300 2.5303 -.0003 1 1 3
2.4230 2.4215 .0015 0 -1 4
2.0670 2.0673 -.0003 3 -2 2
1.9050 1.9045 .0005 1 -3 3
1.5490 1.5488 .0002 3 2 1
A= 6.928 DA= .002
B= 6.057 DB= .001
C= 10.480 DC= .003
GAMMA=106.87 DGAMMA= .01
BETA = 72.74 DBETA = .03
ALPHA=104.30 DALPHA= .01
V= 395.6
5. 24-1661
C8H14CuN2O5\
Triklin
Dexp Dcal d(D) h k l
9.2000 9.2006 -.0006 0 0 1
8.1800 8.1921 -.0121 1 1 0
7.3100 7.3029 .0071 -2 1 0
6.9600 6.9617 -.0017 1 -1 1
6.7000 6.6992 .0008 1 1 1
6.2300 6.2206 .0094 2 0 1
5.9000 5.9140 -.0140 0 2 0
5.6000 5.6175 -.0175 2 1 0
5.3000 5.3012 -.0012 0 2 1
4.9200 4.9235 -.0035 1 -2 1
4.5700 4.5773 -.0073 1 0 2
4.1700 4.1698 .0002 3 1 0
A= 15.608 DA= .001
B= 12.3963 DB= .0006
C= 9.3337 DC= .0007
GAMMA=105.755 DGAMMA= .003
BETA = 83.905 DBETA = .006
ALPHA= 84.458 DALPHA= .001
V=1714.3
6. 24-1662
C10H24Br2CuN4
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
9.4000 9.4900 -.0900 1 1 0
7.2000 7.1225 .0775 0 2 0
7.0000 6.9363 .0637 1 0 1
6.2000 6.2151 -.0151 1 2 0
5.7700 5.8093 -.0393 2 1 0
5.3800 5.3978 -.0178 0 2 1
5.0300 5.0436 -.0136 2 0 1
4.9700 4.9692 .0008 1 2 1
4.7500 4.7450 .0050 2 2 0
4.1100 4.1161 -.0061 2 2 1
3.9100 3.9182 -.0082 1 3 1
3.8100 3.8054 .0046 2 3 0
3.3400 3.3351 .0049 3 2 1
3.1200 3.1191 .0009 0 3 2
a=12.72 b=14.24 c= 8.274
da= .03 db= .02 dc= .005
V=1500
Triklin
Dexp Dcal d(D) h k l
9.4000 9.3955 .0045 0 1 1
7.2000 7.2059 -.0059 -1 1 1
7.0000 6.9918 .0082 -1 -1 1
6.2000 6.2082 -.0082 1 1 1
5.7700 5.7714 -.0014 0 2 0
5.3800 5.3719 .0081 1 2 0
5.0300 5.0310 -.0010 -2 0 1
4.9700 4.9733 -.0033 1 -1 1
4.7500 4.7517 -.0017 -2 -1 1
4.1100 4.1084 .0016 -2 1 0
3.9100 3.9094 .0006 0 1 3
3.8100 3.8108 -.0008 1 3 0
3.3400 3.3400 -.0000 1 3 2
3.1200 3.1200 .0000 2 0 2
A= 10.130 DA= .004
B= 12.00 DB= .01
C= 12.44 DC= .01
GAMMA= 84.36 DGAMMA= .06
BETA =109.06 DBETA = .09
ALPHA= 77.90 DALPHA= .09
V= 1375.0
7. 24-1663
C10H24Cl2CuN4
Triklin
Dexp Dcal d(D) h k l
12.5000 12.4963 .0037 1 0 0
7.9000 7.9070 -.0070 1 1 0
7.0200 7.0256 -.0056 -1 0 1
6.5600 6.5754 -.0154 0 -1 1
6.2800 6.2730 .0070 -1 -1 1
5.8900 5.8844 .0056 1 0 1
5.5900 5.5898 .0002 0 1 1
5.4300 5.4307 -.0007 -1 1 1
4.7900 4.7877 .0023 -1 2 0
4.1900 4.1891 .0009 2 -1 1
3.9900 3.9882 .0018 -3 0 1
3.2600 3.2600 .0000 -3 2 0
2.9300 2.9303 -.0003 -4 1 1
A= 12.76 DA= .01
B= 10.468 DB= .007
C= 7.6850 DC= .0007
GAMMA= 88.72 DGAMMA= .07
BETA =101.58 DBETA = .03
ALPHA= 99.84 DALPHA= .01
V=989.4
8. 24-1664
C10H24Cl2CuN4O4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
12.3000 12.4097 -.1097 0 1 0
7.9000 7.9003 -.0003 1 1 0
6.8000 6.8068 -.0068 1 1 1
6.2000 6.2048 -.0048 0 2 0
6.1000 6.0992 .0008 -1 0 1
5.1200 5.1223 -.0023 2 0 0
4.9400 4.9348 .0052 1 2 1
3.9600 3.9605 -.0005 2 2 1
3.8400 3.8389 .0011 -2 1 1
3.1400 3.1396 .0004 1 1 3
3.0200 3.0205 -.0005 0 1 3
a= 10.68 b= 12.41 c= 9.74 beta= 73.6
da=.03 db=.07 dc=.01 dbeta=.2
V= 1238
9. 24-1665
C10H24Cl2CuN4
Rombik
Groupa 26,28,51
Dexp. Dcal. d(D) h k l
9.8000 9.8891 -.0891 1 0 1
7.4000 7.4077 -.0077 2 0 0
6.9000 6.9564 -.0564 0 1 0
6.6400 6.6403 -.0003 0 0 2
6.3400 6.2969 .0431 1 1 0
6.0600 6.0595 .0005 1 0 2
5.6900 5.6897 .0003 1 1 1
4.0300 4.0302 -.0002 2 1 2
3.2400 3.2398 .0002 1 0 4
a=14.82 b= 6.96 c=13.2806
da= .09 db= .04 dc= .0004
V=1368
Triklin
Dexp Dcal d(D) h k l
9.8000 9.7819 .0181 1 0 0
7.4000 7.3999 .0001 -1 1 0
6.9000 6.9021 -.0021 -1 0 1
6.6400 6.6393 .0007 0 -1 1
6.3400 6.3407 -.0007 1 1 0
6.0600 6.0603 -.0003 1 0 1
5.6900 5.6896 .0004 -1 1 1
4.0300 4.0300 .0000 0 -1 2
3.2400 3.2400 -.0000 -3 1 0
A= 9.9702 DA= .0006
B= 9.619 DB= .006
C= 8.649 DC= .006
GAMMA= 98.29 DGAMMA= .01
BETA = 96.86 DBETA = .05
ALPHA= 93.80 DALPHA= .03
V= 812.0
10. 24-1666
C10H24CuN6O6
Triklin
Dexp Dcal d(D) h k l
9.7000 9.6636 .0364 0 1 1
8.5000 8.5074 -.0074 0 -1 1
7.6000 7.6078 -.0078 1 0 1
7.1000 7.1084 -.0084 -1 1 0
6.5000 6.5020 -.0020 0 0 2
6.3000 6.2981 .0019 1 1 1
5.7900 5.7925 -.0025 1 0 2
5.2600 5.2615 -.0015 1 -1 2
5.0800 5.0800 -.0000 -1 -1 1
4.2600 4.2586 .0014 1 -2 2
4.0000 4.0004 -.0004 -1 -2 1
3.7400 3.7406 -.0006 0 3 2
3.5100 3.5097 .0003 -2 1 1
3.3900 3.3897 .0003 1 3 2
A= 8.114 DA= .003
B= 12.75217 DB= .00004
C= 13.54 DC= .01
GAMMA= 97.18 DGAMMA= .03
BETA = 75.59 DBETA = .06
ALPHA= 84.797 DALPHA= .004
V= 1335.0
11. 24-1667
10H24CuI2N4
Triklin
Dexp Dcal d(D) h k l
9.6000 9.6311 -.0311 0 1 1
7.4000 7.4021 -.0021 1 1 0
7.1000 7.0988 .0012 0 -1 1
4.2200 4.2200 .0000 2 1 1
5.9000 5.9063 -.0063 -1 1 0
5.5100 5.5088 .0012 -1 -1 1
5.0900 5.0894 .0006 1 0 2
4.8700 4.8629 .0071 1 2 2
4.0400 4.0412 -.0012 1 1 3
3.9100 3.9111 -.0011 2 2 1
3.7200 3.7202 -.0002 2 2 2
3.4100 3.4090 .0010 2 -1 1
3.3500 3.3497 .0003 -1 1 3
3.2100 3.2104 -.0004 0 3 3
A= 8.501 DA= .002
B= 12.191 DB= .004
C= 12.608 DC= .003
GAMMA= 73.13 DGAMMA= .04
BETA = 77.13 DBETA = .06
ALPHA= 70.06 DALPHA= .04
V= 1164.1
12. 24-1668
C10H24ClCuF6N4P
Rombik
Groupa 33,49,62
Dexp. Dcal. d(D) h k l
8.7000 8.7366 -.0366 0 2 0
6.3000 6.2805 .0195 1 2 0
5.3500 5.3438 .0062 1 1 1
4.8900 4.8954 -.0054 1 3 0
4.0400 4.0415 -.0015 1 3 1
3.8200 3.8210 -.0010 2 0 1
3.2600 3.2593 .0007 1 5 0
a= 9.035 b=17.473 c= 7.162
da= .005 db= .004 dc= .004
V=1131
13. 24-1669
C10H24B2CuF8N4
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
8.0000 8.0351 -.0351 0 0 1
7.6000 7.5681 .0319 2 0 0
7.1000 7.0971 .0029 1 0 1
6.6000 6.5811 .0189 2 1 0
6.1000 6.0989 .0011 1 2 0
5.5100 5.5092 .0008 2 0 1
5.0000 5.0013 -.0013 2 2 0
4.2700 4.2729 -.0029 3 0 1
3.6400 3.6402 -.0002 4 1 0
3.4300 3.4291 .0009 2 1 2
3.2900 3.2905 -.0005 4 2 0
a=15.14 b=13.33 c= 8.03
da= .01 db= .01 dc= .01
V=1621
14. 24-1670
2H8CuN2O6S2
Triklin
Dexp Dcal d(D) h k l
7.8000 7.8012 -.0012 1 0 0
5.2600 5.2561 .0039 0 -1 1
5.0600 5.0599 .0001 -1 0 1
4.2000 4.1954 .0046 -2 1 0
3.8700 3.8703 -.0003 1 1 1
3.4000 3.4000 -.0000 -2 0 1
2.9600 2.9615 -.0015 -2 3 0
2.9100 2.9106 -.0006 1 0 2
2.6400 2.6398 .0002 1 -2 2
2.4700 2.4690 .0010 -3 3 0
2.4200 2.4180 .0020 2 0 2
2.1300 2.1306 -.0006 0 0 3
A= 8.417 DA= .002
B= 9.640 DB= .004
C= 6.3987 DC= .0003
GAMMA=111.91 DGAMMA= .01
BETA = 92.340 DBETA = .008
ALPHA= 90.33 DALPHA= .03
V= 481.2
15. 24-1672
C14H18Cl2CuN4*0.5H2O
Triklin
Dexp Dcal d(D) h k l
9.5100 9.5097 .0003 1 0 0
8.9700 8.9634 .0066 0 1 1
8.4200 8.4237 -.0037 -1 0 1
7.4800 7.4819 -.0019 1 0 1
6.7700 6.7744 -.0044 0 -1 1
6.0900 6.0894 .0006 -1 0 2
5.7900 5.7862 .0038 1 1 1
4.8000 4.8007 -.0007 -1 1 3
4.0500 4.0489 .0011 1 0 3
3.7400 3.7410 -.0010 2 0 2
3.3200 3.3201 -.0001 1 2 3
3.1900 3.1898 .0002 -3 1 0
A= 9.8888 DA= .0003
B= 9.794 DB= .001
C= 15.256 DC= .001
GAMMA=104.1681 DGAMMA= .0009
BETA =101.4715 DBETA = .0003
ALPHA= 70.424 DALPHA= .006
V=1338.7
16. 24-1673
C13H8CuKN3O4S
Triklin
Dexp Dcal d(D) h k l
9.5500 9.5562 -.0062 0 -1 1
7.0500 7.0535 -.0035 -1 1 0
6.5000 6.4998 .0002 0 -3 1
5.0500 5.0563 -.0063 -1 1 1
4.8000 4.8010 -.0010 -1 -2 1
4.4500 4.4492 .0008 0 5 0
4.1000 4.0999 .0001 1 -5 1
3.9000 3.8996 .0004 1 2 2
3.6500 3.6492 .0008 -1 0 2
3.4500 3.4498 .0002 -1 -5 1
3.3500 3.3483 .0017 2 -1 2
3.2000 3.2008 -.0008 0 -7 1
A= 7.492 DA= .002
B= 22.8636 DB= .0001
C= 10.196 DC= .003
GAMMA= 98.0325 DGAMMA= .0009
BETA = 75.273 DBETA = .007
ALPHA=102.324 DALPHA= .002
V= 1643.4
17. 24-1674
C15H20CuF12N4P2
Triklin
Dexp Dcal d(D) h k l
13.5000 13.5315 -.0315 1 0 0
10.7000 10.6986 .0014 1 -1 0
8.8500 8.8398 .0102 -1 1 1
8.4400 8.4412 -.0012 -1 0 1
7.1200 7.1202 -.0002 2 -1 0
6.8800 6.8810 -.0010 0 0 2
6.3200 6.3195 .0005 1 1 2
5.8800 5.8820 -.0020 -1 2 1
5.3700 5.3694 .0006 0 2 0
4.2300 4.2300 .0000 3 -2 1
3.5300 3.5300 .0000 -3 3 1
A= 15.021 DA= .004
B= 12.036 DB= .001
C= 14.907 DC= .004
GAMMA=108.85 DGAMMA= .03
BETA = 78.31 DBETA = .03
ALPHA= 75.912 DALPHA= .004
V= 2354.6
18. 24-1675
C14H18Cl2CuN4*0.5H2O
Triklin
Dexp Dcal d(D) h k l
12.8000 12.7581 .0419 1 0 0
9.5900 9.5903 -.0003 0 -1 1
8.4500 8.4484 .0016 -1 1 1
7.9000 7.8997 .0003 1 -1 1
7.4500 7.4518 -.0018 -1 -1 1
7.0700 7.0737 -.0037 -2 1 0
4.5300 4.5302 -.0002 0 3 0
3.5400 3.5401 -.0001 0 -2 3
3.3200 3.3200 -.0000 -4 0 1
3.2200 3.2200 .0000 0 -4 2
3.1800 3.1800 .0000 3 -3 2
3.0900 3.0899 .0001 -3 -2 2
A= 14.47 DA= .01
B= 15.187 DB= .008
C= 11.396 DC= .001
GAMMA=113.407 DGAMMA= .008
BETA =101.95 DBETA = .03
ALPHA= 96.725 DALPHA= .003
V= 2192.8
19. 24-1676
C17H20CuN6S2
Monoklin
Grupa 3
13.0000 12.9482 .0518 1 0 0
9.4700 9.5564 -.0864 0 1 1
7.2400 7.2320 .0080 1 0 1
6.6600 6.6458 .0142 1 1 1
6.0500 6.0434 .0066 2 1 0
5.7100 5.7108 -.0008 -2 0 2
4.4400 4.4432 -.0032 1 1 2
4.1500 4.1517 -.0017 -3 2 1
3.7700 3.7695 .0005 0 1 3
3.6400 3.6401 -.0001 1 4 1
3.5200 3.5196 .0004 -3 3 2
3.2900 3.2902 -.0002 3 2 1
a= 14.34 b= 16.85 c= 12.85 beta= 115.5
da=.01 db=.02 dc=.03 dbeta=.1
V= 2804
Triklin
Dexp Dcal d(D) h k l
13.0000 13.0042 -.0042 1 0 0
9.4700 9.4629 .0071 1 1 1
7.2400 7.2422 -.0022 -1 -1 1
6.6600 6.6602 -.0002 0 2 0
6.0500 6.0473 .0027 -1 1 1
5.7100 5.7099 .0001 1 1 2
4.4400 4.4401 -.0001 0 3 0
4.1500 4.1502 -.0002 3 2 2
3.7700 3.7699 .0001 0 0 3
3.6400 3.6403 -.0003 -1 2 2
3.5200 3.5199 .0001 -1 3 1
3.2900 3.2900 .0000 3 4 0
A= 14.6956 DA= .0001
B= 14.441 DB= .001
C= 11.884 DC= .001
GAMMA= 67.286 DGAMMA= .007
BETA = 72.13 DBETA = .02
ALPHA= 82.77 DALPHA= .01
V= 2214.0
20. 24-1677
C14H18CuF12N4P2
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
9.0500 9.1101 -.0601 0 0 1
7.7300 7.7073 .0227 1 0 1
7.2200 7.2278 -.0078 2 0 0
6.5200 6.5278 -.0078 0 1 0
4.8700 4.8445 .0255 2 1 0
4.5700 4.5551 .0149 0 0 2
3.8500 3.8536 -.0036 2 0 2
3.7300 3.7355 -.0055 0 1 2
2.9500 2.9523 -.0023 3 1 2
2.8000 2.7996 .0004 2 0 3
a=14.456 b= 6.53 c= 9.110
da= .001 db= .01 dc= .001
V= 860
21. 24-1678
C14H18CuI2N4
Triklin
Dexp Dcal d(D) h k l
10.8000 10.8132 -.0132 -1 0 1
7.7900 7.7907 -.0007 0 1 1
7.2100 7.2076 .0024 0 -1 1
6.6400 6.6381 .0019 1 -1 1
5.6600 5.6590 .0010 -1 1 3
5.3200 5.3203 -.0003 0 -1 3
4.2700 4.2704 -.0004 2 -1 3
4.1000 4.1003 -.0003 -2 1 4
4.0000 3.9998 .0002 -3 0 1
3.8800 3.8799 .0001 2 0 5
3.6200 3.6201 -.0001 1 2 1
3.5500 3.5500 .0000 -2 2 0
A= 12.3551 DA= .0008
B= 8.0117 DB= .0003
C= 24.7449 DC= .002
GAMMA= 98.303 DGAMMA= .003
BETA = 89.458 DBETA = .005
ALPHA= 82.49004 DALPHA= .00006
V= 2401.8
22. 24-1679
C14H18BrClCuN4O4
Triklin
Dexp Dcal d(D) h k l
12.5000 12.5092 -.0092 -1 1 0
10.9000 10.8966 .0034 0 1 1
8.5300 8.5275 .0025 -1 1 1
7.3400 7.3430 -.0030 0 2 1
7.0700 7.0681 .0019 -2 1 0
5.9500 5.9494 .0006 0 1 2
5.7500 5.7504 -.0004 1 -2 1
5.3400 5.3375 .0025 1 2 0
4.9400 4.9397 .0003 -2 3 0
3.2800 3.2800 .0000 4 -3 1
A= 14.286 DA= .001
B= 16.409 DB= .006
C= 12.0218 DC= .0001
GAMMA=111.07240 DGAMMA= .03909
BETA = 81.89301 DBETA = .02352
ALPHA= 73.13734 DALPHA= .00921
V=2421.3
23. 24-1680
C14H18CuN6O3*0.5H2O
Triklin
Dexp Dcal d(D) h k l
12.1000 12.1090 -.0090 1 0 0
11.5000 11.4986 .0014 0 1 0
10.7000 10.6970 .0030 0 1 1
8.7800 8.7807 -.0007 -1 0 1
8.3100 8.3067 .0033 0 -1 1
6.4500 6.4512 -.0012 1 1 2
6.1100 6.1093 .0007 -1 -1 1
5.9200 5.9180 .0020 0 2 1
4.3100 4.3102 -.0002 1 -2 2
3.8300 3.8300 .0000 3 -1 2
3.5400 3.5401 -.0001 1 3 2
3.3700 3.3699 .0001 3 1 3
A= 12.597 DA= .001
B= 12.138 DB= .001
C= 16.458 DC= .02
GAMMA=101.20 DGAMMA= .04
BETA = 81.537 DBETA = .04
ALPHA= 77.09 DALPHA= .04
V= 2356.2
24. 24-1681
C14H18Br2CuN4*0/5H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
5.7300 5.7233 .0067 -3 0 1
5.0400 5.0393 .0007 0 2 0
3.7800 3.7822 -.0022 -3 2 1
3.7000 3.7003 -.0003 -5 1 1
3.3600 3.3596 .0004 0 3 0
3.2000 3.1998 .0002 2 3 0
3.1500 3.1499 .0001 -5 0 2
3.1100 3.1101 -.0001 -2 2 2
3.0000 3.0000 .0000 -3 2 2
2.9620 2.9620 .0000 -7 0 1
a= 21.25 b= 10.079 c= 8.116 beta= 98.74
da= .03 db= .001 dc=.001 dbeta=.08
V= 1718
Triklin
Dexp Dcal d(D) h k l
5.7300 5.7304 -.0004 1 1 0
5.0400 5.0396 .0004 1 1 1
3.7800 3.7811 -.0011 1 3 0
3.7000 3.7000 .0000 1 3 1
3.3600 3.3597 .0003 0 0 2
3.2000 3.2000 .0000 1 0 2
3.1500 3.1505 -.0005 0 -1 2
3.1100 3.1099 .0001 -1 3 0
3.0000 2.9995 .0005 -1 -3 1
2.9620 2.9621 -.0001 2 1 0
A= 6.0939 DA= .0001
B= 13.028 DB= .002
C= 6.9623 DC= .002
GAMMA= 76.441 DGAMMA= .008
BETA = 76.55 DBETA = .01
ALPHA= 80.17 DALPHA= .01
V= 518.6
25. 24-1682
C14H18ClCuIN4O4
Triklin
Dexp Dcal d(D) h k l
12.3000 12.3186 -.0186 1 1 0
10.3000 10.3324 -.0324 0 2 0
9.7800 9.7471 .0329 -1 2 0
8.8100 8.8137 -.0037 2 0 0
8.2900 8.2633 .0267 1 2 0
7.1100 7.1025 .0075 0 0 1
6.0000 6.0009 -.0009 -2 3 0
5.4800 5.4808 -.0008 -2 -1 1
5.1000 5.1000 -.0001 2 -1 1
4.8000 4.8008 -.0008 0 -3 1
4.6100 4.6109 -.0009 1 3 1
4.2700 4.2749 -.0049 2 -3 1
A= 18.179 DA= .001
B= 21.125 DB= .003
C= 7.208 DC= .00408
GAMMA=101.479 DGAMMA= .001
BETA = 99.20 DBETA = .01
ALPHA= 84.80 DALPHA= .02
V=2662.3
26. 24-1683
C15H20ClCuIN4O4
Triklin
Dexp Dcal d(D) h k l
12.2000 12.2065 -.0065 1 0 0
9.1700 9.1477 .0223 0 1 0
8.2900 8.2864 .0036 1 0 1
8.1200 8.1390 -.0190 1 -1 1
7.6700 7.6591 .0109 0 -1 1
6.8100 6.8018 .0082 -1 0 1
5.6700 5.6639 .0061 2 0 1
5.5500 5.5538 -.0038 -1 -1 1
5.1300 5.1345 -.0045 1 1 1
4.3000 4.2993 .0007 -2 2 0
4.1900 4.1906 -.0006 -3 1 0
A= 13.37 DA= .01
B= 10.188 DB= .008
C= 10.21 DC= .01
GAMMA=111.21 DGAMMA= .07
BETA = 72.40 DBETA = .08
ALPHA=110.42 DALPHA= .02
V= 1190.4
27. 24-1684
C15H20BrClCuN4O4
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
12.0000 12.0306 -.0306 1 0 1
10.5000 10.4717 .0283 1 1 0
9.0100 8.9987 .0113 0 0 2
8.2900 8.2752 .0148 1 0 2
7.0200 7.0172 .0028 1 2 0
6.2800 6.2883 -.0083 2 1 0
5.2300 5.2358 -.0058 2 2 0
4.6600 4.6668 -.0068 0 3 2
4.4100 4.4087 .0013 3 0 2
4.2900 4.2858 .0042 -1 3 2
4.0000 4.0005 -.0005 -2 1 3
a= 13.880 b= 16.375 c= 18.339 beta= 78.91
da= .003 db=.003 dc=.02 dbeta=.09
V= 4090
Triklin
Dexp Dcal d(D) h k l
12.0000 11.9980 .0020 1 0 0
10.5000 10.4887 .0113 0 1 0
9.0100 8.9879 .0221 -1 0 1
8.2900 8.2823 .0077 0 -1 1
7.0200 7.0261 -.0061 1 0 1
6.2800 6.2830 -.0030 -2 -1 1
5.2300 5.2304 -.0004 -1 0 2
4.6600 4.6609 -.0009 -2 1 0
4.4100 4.4104 -.0004 -2 1 1
4.2900 4.2898 .0002 0 1 2
4.0000 3.9993 .0007 3 0 0
2.7400 2.7400 .0000 -2 -2 4
A= 13.2504 DA= .0007
B= 11.4902 DB= .0006
C= 11.1749 DC= .0008
GAMMA= 69.028 DGAMMA= .009
BETA =109.001 DBETA = .001
ALPHA=107.600 DALPHA= .004
V=1468.1
28. 24-1685
C15H20CuI2N4*0.5H2O
Rombik
Groupa 26, 28,51
Dexp. Dcal. d(D) h k l
8.2900 8.2923 -.0023 2 1 0
7.4000 7.4822 -.0822 3 0 0
6.9700 6.9640 .0060 1 0 1
6.4500 6.3931 .0569 3 1 0
6.1300 6.1344 -.0044 2 0 1
5.9200 5.9338 -.0138 1 2 0
4.3400 4.3441 -.0041 2 2 1
3.9900 3.9868 .0032 3 2 1
3.5100 3.5105 -.0005 0 1 2
3.4100 3.4098 .0002 2 3 1
3.3100 3.3115 -.0015 4 3 0
3.2300 3.2286 .0014 3 3 1
a=22.45 b=12.31 c= 7.3255
da= .04 db= .01 dc= .0006
V=2023
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.2900 8.2897 .0003 1 0 1
7.4000 7.3788 .0212 1 1 0
6.9700 6.9505 .0195 0 1 1
6.4500 6.4618 -.0118 -1 0 2
6.1300 6.1210 .0090 0 0 2
5.9200 5.9152 .0048 1 1 1
4.3400 4.3404 -.0004 3 1 0
3.9900 3.9910 -.0010 0 2 1
3.5100 3.5077 .0023 -3 1 3
3.4100 3.4100 -.0000 -2 2 2
3.3100 3.3110 -.0010 -3 2 1
3.2300 3.2309 -.0009 -2 0 4
a= 16.08 b= 8.44 c= 12.96 beta= 109.2
da= .09 db=.02 dc=.09 dbeta=.6
V= 1662
Triklin
Dexp Dcal d(D) h k l
8.2900 8.2971 -.0071 1 0 0
7.4000 7.3942 .0058 0 1 0
6.9700 6.9757 -.0057 0 -1 1
6.4500 6.4611 -.0111 1 0 1
6.1300 6.1275 .0025 -1 1 0
5.9200 5.8963 .0237 1 -1 1
4.3400 4.3427 -.0027 -1 0 2
3.9900 3.9873 .0027 -1 -1 2
3.5100 3.5104 -.0004 -2 1 1
3.4100 3.4093 .0007 0 0 3
3.3100 3.3099 .0001 -2 -1 1
3.2300 3.2305 -.0005 2 0 2
A= 8.466 DA= .001
B= 7.850 DB= .004
C= 10.66 DC= .01
GAMMA=101.48 DGAMMA= .03
BETA = 86.49 DBETA = .03
ALPHA=106.40 DALPHA= .09
V= 666.2
29. 24-1686
C15H20Br2CuN4*H2O
Triklin
Dexp Dcal d(D) h k l
11.5000 11.4174 .0826 1 0 0
8.7000 8.7035 -.0035 0 1 0
8.0100 8.0039 .0061 0 -1 1
7.2600 7.2475 .0125 1 1 0
6.9200 6.9019 .0181 -1 0 1
6.6200 6.6363 -.0163 -1 1 0
6.1600 6.1706 -.0106 -1 -1 1
5.8200 5.8166 .0034 2 0 1
5.3500 5.3528 -.0028 1 -1 2
4.2400 4.2403 -.0003 1 1 2
3.9800 3.9810 -.0010 3 0 1
3.5100 3.5094 .0006 2 -2 2
A= 11.9615 DA= .0007
B= 9.088 DB= .001
C= 11.8124 DC= .0005
GAMMA= 89.670 DGAMMA= .006
BETA = 73.44 DBETA = .02
ALPHA=105.91 DALPHA= .01
V=1179.2
30. 24-1687
C17H20CuN6S2*H2O
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
8.8100 8.8278 -.0178 0 1 1
8.2500 8.2359 .0141 -1 0 1
7.5800 7.5878 -.0078 1 0 1
6.9000 6.9036 -.0036 1 1 1
6.4700 6.4994 -.0294 0 2 1
6.0500 6.0468 .0032 2 0 0
5.5400 5.5451 -.0051 0 3 0
4.7300 4.7299 .0001 -1 1 2
4.0300 4.0312 -.0012 3 0 0
3.5600 3.5610 -.0010 1 3 2
3.3500 3.3492 .0008 3 2 1
3.1800 3.1798 .0002 -1 4 2
a= 12.135 b= 16.64 c= 10.451 beta= 94.74
da= .009 db=.01 dc=.005 dbet=.04
V=2102
Triklin
Dexp Dcal d(D) h k l
8.8100 8.8087 .0013 0 1 1
8.2500 8.2377 .0123 1 0 0
7.5800 7.5808 -.0008 0 -1 1
6.9000 6.8979 .0021 1 0 1
6.4700 6.4691 .0009 1 1 0
6.0500 6.0492 .0008 -1 1 1
5.5400 5.5368 .0032 -1 -1 1
4.7300 4.7303 -.0003 1 1 2
4.0300 4.0299 .0001 -1 -2 1
3.5600 3.5599 .0001 0 2 3
3.3500 3.3501 -.0001 2 1 2
3.1800 3.1802 -.0002 -2 -1 2
A= 8.239 DA= .001
B= 10.8033 DB= .0007
C= 12.671 DC= .001
GAMMA= 90.956 DGAMMA= .002
BETA = 89.88 DBETA = .01
ALPHA= 81.330 DALPHA= .003
V= 1114.7
31. 24-1688
C17H20CuN6S2
Rombik
GRUPA 4, 11
Dexp. Dcal. d(D) h k l
8.2900 8.2937 -.0037 0 1 1
7.4700 7.4748 -.0048 -1 1 1
6.9200 6.9737 -.0537 1 1 1
6.5600 6.5700 -.0100 -2 0 1
6.1600 6.1730 -.0130 2 1 0
5.9300 5.9238 .0062 2 0 1
5.2500 5.2726 -.0226 2 1 1
4.9800 4.9801 -.0001 -1 2 1
4.5100 4.5098 .0002 -2 1 2
3.7200 3.7200 -.0000 1 0 3
3.1600 3.1600 -.0000 -4 1 2
a= 14.697 b= 11.567 c= 11.979 beta= 96.6
da= .001 db= .006 dc=.04 dbet= .1
V=2012
32. 24-1689
C11H24ClCuN5O4S
Triklin
Dexp Dcal d(D) h k l
9.6000 9.6307 -.0307 1 0 1
7.7000 7.6778 .0222 0 1 0
7.3000 7.2989 .0011 0 1 1
6.9000 6.9160 -.0160 -1 1 0
6.2000 6.1974 .0026 1 1 1
5.7200 5.7249 -.0049 1 0 2
5.4300 5.4307 -.0007 0 -1 1
5.1700 5.1638 .0062 0 0 2
5.0500 5.0501 -.0001 2 0 0
4.7500 4.7429 .0071 -2 1 0
3.9800 3.9824 -.0024 -2 1 1
3.2900 3.2903 -.0003 0 -2 1
A= 11.306 DA= .008
B= 8.099 DB= .004
C= 11.802 DC= .007
GAMMA= 96.42 DGAMMA= .06
BETA = 66.550 DBETA = .001
ALPHA= 76.76 DALPHA= .09
V=940.3
33. 24-1693
C16H18CuN6S2*1.5H2O
Rombik
Groupa 23, 24,44,71
Dexp. Dcal. d(D) h k l
13.2000 13.1420 .0580 2 0 0
9.4200 9.4272 -.0072 1 0 1
7.2900 7.3078 -.0178 1 1 0
6.6400 6.6180 .0220 3 0 1
6.0900 6.0765 .0135 0 1 1
5.7300 5.7444 -.0144 3 1 0
5.0500 5.0496 .0004 0 0 2
4.4600 4.4613 -.0013 4 1 1
4.1500 4.1543 -.0043 1 1 2
3.6500 3.6539 -.0039 2 2 0
3.5300 3.5275 .0025 1 2 1
3.3000 3.2979 .0021 3 2 1
a=26.28 b= 7.61 c=10.099
da= .05 db= .01 dc= .006
V=2019
34. 24-1694
C17H20CuN6S2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.5900 9.6102 -.0202 -1 0 1
7.7900 7.7828 .0072 1 1 0
6.8300 6.8402 -.0102 0 0 2
6.6400 6.6436 -.0036 -1 0 2
5.9700 5.9552 .0148 0 1 2
5.5400 5.5350 .0050 0 2 1
4.8100 4.8051 .0049 -2 0 2
4.4800 4.4742 .0058 -1 2 2
4.2700 4.2674 .0026 0 1 3
3.8900 3.8914 -.0014 2 2 0
3.7100 3.7147 -.0047 -1 2 3
3.5400 3.5404 -.0004 2 2 1
a= 10.62 b= 12.10 c= 14.30 beta= 106.970
da= .02 db=.07 dc=.01 dbeta=.002
V= 1759
Triklin
Dexp Dcal d(D) h k l
9.5900 9.6238 -.0338 1 0 0
7.7900 7.7795 .0105 0 1 1
6.8300 6.8332 -.0032 0 -1 1
6.6400 6.6389 .0011 -1 0 1
5.9700 5.9705 -.0005 -1 -1 1
5.5400 5.5374 .0026 2 1 1
4.8100 4.8119 -.0019 2 0 0
4.4800 4.4815 -.0015 1 2 2
4.2700 4.2696 .0004 2 2 0
3.8900 3.8897 .0003 0 2 2
3.7100 3.7095 .0005 -2 1 0
3.5400 3.5400 .0000 2 0 3
A= 11.168 DA= .003
B= 10.402 DB= .006
C= 12.693 DC= .002
GAMMA= 63.382 DGAMMA= .009
BETA = 69.56 DBETA = .02
ALPHA= 74.47 DALPHA= .01
V= 1224.1
35. 24-1695
C17H20CuN6S2*xH2O
Triklin
Dexp Dcal d(D) h k l
9.8800 9.9205 -.0405 1 0 0
8.2200 8.2385 -.0185 1 1 0
7.6700 7.6566 .0134 1 1 1
7.3400 7.3753 -.0353 -1 0 1
6.9300 6.9215 .0085 1 0 1
6.6000 6.5918 .0082 -1 1 1
5.7700 5.7841 -.0141 0 1 2
5.2100 5.2060 .0040 1 2 0
5.0300 5.0315 -.0015 0 2 2
4.9000 4.8921 .0079 -1 1 2
4.4500 4.4490 .0010 1 0 2
4.3100 4.3118 -.0018 -1 2 0
A= 10.188 DA= .008
B= 12.30 DB= .01
C= 11.58 DC= .01
GAMMA= 77.35 DGAMMA= .02
BETA = 87.41 DBETA = .04
ALPHA= 62.75 DALPHA= .05
V=1255
36. 24-1696
C17H20CuN6S2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
10.5000 10.4970 .0030 1 1 0
8.2900 8.2693 .0207 1 1 1
6.7700 6.7634 .0066 2 1 0
6.3900 6.3931 -.0031 2 1 1
6.0000 6.0035 -.0035 0 2 1
5.6400 5.6414 -.0014 -2 0 1
4.8000 4.8044 -.0044 0 3 0
4.3400 4.3382 .0018 1 3 1
4.1000 4.1003 -.0003 3 1 2
3.4800 3.4802 -.0002 2 3 2
3.4200 3.4197 .0003 0 4 1
a= 15.80 b= 14.413 c= 11.193 beta= 75.84
da=.03 db= .003 dc=.002 dbeta=.02
V= 2471
Triklin
Dexp Dcal d(D) h k l
10.5000 10.5021 -.0021 1 0 0
8.2900 8.2986 -.0086 0 1 0
6.7700 6.7675 .0025 -1 0 1
6.3900 6.3957 -.0057 1 1 0
6.0000 5.9996 .0004 0 -1 1
5.6400 5.6374 .0026 -1 1 1
4.8000 4.8014 -.0014 0 1 2
4.3400 4.3412 -.0012 -1 0 2
4.1000 4.0995 .0005 0 -1 2
3.4800 3.4797 .0003 1 2 2
3.4200 3.4200 .0000 0 1 3
3.4200 3.4200 .0000 0 1 3
A= 10.704 DA= .002
B= 8.427 DB= .007
C= 10.766 DC= .009
GAMMA= 90.23 DGAMMA= .05
BETA = 79.06 DBETA = .04
ALPHA= 80.21 DALPHA= .05
V= 938.9
37. 24-1697
C15H20CuN6O6
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
10.1000 10.1082 -.0082 1 1 0
8.3000 8.3000 .0000 2 0 0
7.5800 7.5640 .0160 0 0 2
6.9200 6.9255 -.0055 2 1 1
6.5800 6.5824 -.0024 -2 0 1
6.2800 6.2868 -.0068 -1 0 2
5.9300 5.9485 -.0185 1 2 0
5.1600 5.1601 -.0001 3 0 2
4.1500 4.1500 .0000 4 0 0
4.0100 4.0100 .0000 3 2 2
3.8800 3.8800 -.0000 -2 0 3
a= 17.207 b= 12.74 c= 15.68 beta= 74.7
da= .007 db=.04 dc=.01 dbet=.1
V=3311
Triklin
Dexp Dcal d(D) h k l
10.1000 10.1160 -.0160 1 0 0
8.3000 8.2992 .0008 0 1 0
7.5800 7.5654 .0146 1 0 1
6.9200 6.9114 .0086 -1 1 0
6.5800 6.5760 .0040 -1 0 1
6.2800 6.2856 -.0056 1 -1 1
5.9300 5.9373 -.0073 0 1 1
5.1600 5.1564 .0036 -1 1 1
4.1500 4.1496 .0004 0 2 0
4.0100 4.0100 -.0000 1 -2 1
3.8800 3.8809 -.0009 -2 1 1
A= 10.354 DA= .005
B= 8.488 DB= .001
C= 9.9667 DC= .0002
GAMMA= 99.37 DGAMMA= .02
BETA = 80.722 DBETA = .003
ALPHA= 99.047 DALPHA= .008
V=844.4
38. 24-1698
C17H20CuN6S2
Triklin
Dexp Dcal d(D) h k l
8.8100 8.8112 -.0012 0 1 1
7.7600 7.7612 -.0012 0 -1 1
7.2400 7.2399 .0001 1 0 1
6.6000 6.6001 -.0001 1 -1 1
5.9900 5.9904 -.0004 1 1 0
5.4300 5.4297 .0003 -1 2 0
4.4800 4.4801 -.0001 -2 1 0
4.2800 4.2800 -.0000 -1 2 2
3.4500 3.4500 .0000 -2 0 2
A= 9.00627 DA= .00007
B= 11.6367 DB= .0004
C= 12.462 DC= .001
GAMMA=106.861 DGAMMA= .008
BETA = 89.164 DBETA = .007
ALPHA= 83.271 DALPHA= .003
V= 1239.70
39. 24-1699
C14H18Cl2CuN4O8
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
13.3000 13.3330 -.0330 0 1 0
9.6900 9.6857 .0043 1 1 0
8.0300 8.0230 .0070 0 1 1
7.1700 7.1782 -.0082 1 0 1
6.9000 6.8809 .0191 -2 0 1
6.3300 6.3204 .0096 1 1 1
6.1100 6.1146 -.0046 -2 1 1
4.8900 4.8895 .0005 -3 0 1
4.2400 4.2386 .0014 1 3 0
4.1400 4.1433 -.0033 -1 2 2
3.4400 3.4404 -.0004 -4 0 2
a= 14.855 b= 13.33 c= 10.59 beta= 108.41
da= .007 db=.01 dc=.02 dbeta=.03
V= 1989.5
Triklin
Dexp Dcal d(D) h k l
13.3000 13.3278 -.0278 1 0 0
9.6900 9.6926 -.0026 0 1 0
8.0300 8.0311 -.0011 0 1 1
7.1700 7.1681 .0019 1 1 0
6.9000 6.9029 -.0029 1 -1 1
6.3300 6.3296 .0004 0 0 2
6.1100 6.1100 .0000 -2 1 0
4.8900 4.8894 .0006 -1 2 0
4.2400 4.2398 .0002 2 -1 2
4.1400 4.1400 -.0000 1 2 1
3.4400 3.4400 -.0000 -1 -2 2
A= 13.632 DA= .007
B= 9.947 DB= .002
C= 12.7160 DC= .0003
GAMMA=102.05 DGAMMA= .01
BETA = 92.42 DBETA = .03
ALPHA= 84.75 DALPHA= .02
V= 1678.7
40. 24-1700
C15H20Cl2CuN4O8
Monoklin
GRUPA 4, 11
Dexp. Dcal. d(D) h k l
10.5000 10.4420 .0580 -1 0 1
8.2400 8.2331 .0069 1 1 1
6.8600 6.8318 .0282 0 0 2
6.1600 6.1529 .0071 1 2 1
5.8200 5.8137 .0063 2 1 1
5.6300 5.6193 .0107 1 1 2
5.2100 5.2006 .0094 0 2 2
4.1700 4.1700 -.0000 3 2 0
4.0100 4.0100 .0000 -3 1 2
3.4400 3.4400 .0000 -2 4 1
a= 14.6986 b= 16.03920 c= 13.713 beta= 94.856
da=.0009 db= .00001 dc= .0007 dbet=.004
V=3231
41. 24-1701
C17H20CuN6S2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
15.7000 15.6737 .0263 -1 0 1
7.8500 7.8552 -.0052 -1 1 1
7.4500 7.4241 .0259 1 0 3
7.2100 7.2051 .0049 -3 0 1
6.6500 6.6515 -.0014 2 0 3
6.2000 6.1987 .0013 -3 0 2
5.9300 5.9320 -.0020 -2 1 2
4.5400 4.5388 .0012 0 2 0
4.2100 4.2104 -.0004 -5 0 2
4.1000 4.0996 .0004 3 0 5
3.9600 3.9620 -.0020 -1 1 5
3.7900 3.7905 -.0005 5 0 4
a= 23.554 b= 9.077 c= 22.89 beta= 84.930
da= .005 db= .006 dc=.02 dbeta=.001
V= 4874
42. 24-1703
C4H14CuN4O4
Triklin
Dexp Dcal d(D) h k l
8.4200 8.4132 .0068 -1 1 0
7.3700 7.3715 -.0015 0 -2 1
6.7500 6.7534 -.0034 -1 -1 1
5.9400 5.9455 -.0055 -1 3 0
5.8100 5.8107 -.0007 0 -3 1
5.7100 5.7052 .0048 -1 -2 1
5.4000 5.4097 -.0097 1 -2 1
5.1800 5.1769 .0031 0 4 0
5.0100 5.0080 .0020 0 0 2
4.8500 4.8532 -.0032 -1 1 2
4.6900 4.6884 .0016 0 -4 1
A= 8.91013 DA= .00000
B= 21.11915 DB= .00000
C= 10.38098 DC= .00001
GAMMA=101.02440 DGAMMA= .00001
BETA =105.01960 DBETA = .00002
ALPHA= 89.68626 DALPHA= .00002
V=1849.9
43. 24-1705
C29H20CuN4O8Re2
Rombik
Groupa 27
Dexp. Dcal. d(D) h k l
7.8500 7.8312 .0188 0 2 0
7.3000 7.3682 -.0682 2 1 0
5.7000 5.7121 -.0121 2 2 0
5.2000 5.2208 -.0208 0 3 0
4.4000 4.4040 -.0040 1 2 1
4.1800 4.1749 .0051 4 0 0
4.0100 4.0059 .0041 2 2 1
3.9200 3.9156 .0044 0 4 0
3.3400 3.3399 .0001 5 0 0
3.1500 3.1524 -.0024 3 3 1
3.0000 2.9984 .0016 2 4 1
2.7300 2.7299 .0001 3 5 0
a=16.700 b=15.66 c= 5.619
da= .008 db= .01 dc= .004
V=1470
44. 24-1706
20H20CuF2N4O6S2
Tetragon
Groupa 77, 84, 93
Dexp. Dcal. d(D) h k l
8.3000 8.3908 -.0908 0 0 2
7.8400 7.8287 .0113 1 1 1
6.9500 6.9697 -.0197 1 0 2
5.9000 5.8640 .0360 2 0 1
5.3000 5.3101 -.0101 2 1 1
4.7200 4.7286 -.0086 1 1 3
4.4000 4.4254 -.0254 2 2 0
4.2000 4.1954 .0046 0 0 4
4.0600 4.0491 .0109 3 0 1
3.7400 3.7360 .0040 3 0 2
a= 12.517 c= 16.78
da= .007 dc= .06
v=2630
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
8.3000 8.2880 .0120 1 1 0
7.8400 7.8424 -.0024 -1 0 1
6.9500 6.9518 -.0018 1 0 1
5.9000 5.8907 .0093 0 2 1
5.3000 5.3006 -.0006 0 0 2
4.7200 4.7234 -.0034 0 3 0
4.4000 4.4005 -.0005 2 0 1
4.2000 4.2025 -.0025 2 1 1
4.0600 4.0603 -.0003 -1 2 2
3.7400 3.7382 .0018 2 2 1
a= 10.2924 b= 14.17 c= 10.68 beta= 96.89
da= .0009 db=.03 dc=.01 dbeta=.01
V= 1546
1. 25-0317
Cu2WO4{OH}2
Triklin
Dexp Dcal d(D) h k l
7.3000 7.2964 .0036 0 1 0
4.7300 4.7295 .0005 1 0 0
3.9300 3.9308 -.0008 0 -1 2
3.0200 3.0198 .0002 -1 -2 1
2.5300 2.5300 .0000 1 -1 3
2.4600 2.4598 .0002 1 3 0
2.3500 2.3499 .0001 0 -2 3
2.2300 2.2299 .0001 0 3 2
1.7250 1.7251 -.0001 -2 -3 2
1.6470 1.6470 .0000 -2 1 3
1.5400 1.5400 -.0000 -1 4 1
1.4630 1.4630 .0000 3 -1 2
1.2670 1.2670 .0000 -2 -3 5
1.2440 1.2440 .0000 -3 -1 4
A= 5.03814 DA= .00008
B= 7.653 DB= .001
C= 9.947 DC= .001
GAMMA= 72.794 DGAMMA= .003
BETA = 77.833 DBETA = .007
ALPHA= 83.129 DALPHA= .009
V= 357.43
2. 25-1631
C3H7CuN4OS
Triklin
Dexp Dcal d(D) h k l
12.5000 12.5299 -.0299 1 0 0
6.2200 6.1992 .0208 1 1 0
5.1200 5.1150 .0050 -1 1 1
4.2600 4.2689 -.0089 2 1 1
4.1300 4.1406 -.0106 -2 1 0
3.6600 3.6615 -.0015 -3 0 1
3.3800 3.3820 -.0020 1 -1 1
3.2600 3.2612 -.0012 0 1 2
3.2000 3.2004 -.0004 -1 1 2
3.1000 3.0996 .0004 2 2 0
2.9100 2.9102 -.0002 -2 2 1
2.8500 2.8493 .0007 -2 0 2 1
A= 12.763 DA= .003
B= 7.119 DB= .005
C= 6.551 DC= .006
GAMMA= 82.18 DGAMMA= .03
BETA = 93.96 DBETA = .03
ALPHA= 66.99 DALPHA= .06
V= 537.9
3. 25-1632
C8H9CuN4OS
Triklin
Dexp Dcal d(D) h k l
9.7700 9.7612 .0088 1 0 0
6.6200 6.6147 .0053 0 1 0
6.5300 6.5272 .0028 0 0 1
4.9900 5.0060 -.0160 -1 0 1
3.8900 3.8901 -.0001 0 -1 1
3.6400 3.6422 -.0022 0 2 1
3.5300 3.5313 -.0013 2 1 0
3.4000 3.3990 .0010 -1 2 0
3.2400 3.2394 .0006 1 2 1
2.9200 2.9201 -.0001 1 2 0
2.8900 2.8905 -.0005 3 -1 1
2.8000 2.7994 .0006 -2 1 2
2.6700 2.6693 .0007 3 1 0
1.9000 1.9000 .0000 -5 2 0
1.7300 1.7300 -.0000 2 2 4
A= 10.122 DA= .004
B= 7.446 DB= .002
C= 7.2493 DC= .0003
GAMMA=100.86 DGAMMA= .03
BETA = 84.541 DBETA = .03
ALPHA= 66.49 DALPHA= .06
V= 483.1
4. 25-1633
C6H6Br2CuN2S2
Triklin
Dexp Dcal d(D) h k l
8.8100 8.8200 -.0100 1 0 0
7.5500 7.5491 .0009 0 1 1
5.8900 5.8886 .0014 -1 0 1
5.5800 5.5828 -.0029 0 -1 1
3.9000 3.9025 -.0025 -2 1 1
3.7700 3.7719 -.0019 1 1 2
3.7200 3.7198 .0002 2 1 1
3.5700 3.5676 .0024 0 3 1
3.4000 3.4030 -.0030 1 2 2
3.3500 3.3471 .0029 -2 -1 1
2.9510 2.9489 .0021 -2 2 2
2.8170 2.8174 -.0004 0 1 3
A= 8.867 DA= .005
B= 10.848 DB= .005
C= 8.460 DC= .004
GAMMA= 95.80 DGAMMA= .03
BETA = 90.56 DBETA = .05
ALPHA= 72.48 DALPHA= .01
V= 771.9
5. 25-1634
C6H6Cl2CuN2S2
Triklin
Dexp Dcal d(D) h k l
8.5000 8.4978 .0022 1 0 0
7.5200 7.5172 .0028 1 1 0
5.3900 5.3892 .0008 1 1 1
3.8900 3.8891 .0009 -2 -1 1
3.7100 3.7129 -.0029 1 2 1
3.5900 3.5896 .0004 -1 -2 1
3.3500 3.3502 -.0002 0 1 2
2.9810 2.9810 .0000 3 2 0
2.8980 2.8982 -.0002 1 -1 2
2.8320 2.8326 -.0006 3 0 0
2.7580 2.7581 -.0001 -2 0 2
2.7230 2.7241 -.0011 -3 -2 1
A= 9.471 DA= .003
B= 8.403 DB= .003
C= 7.3915 DC= .0003
GAMMA= 63.83 DGAMMA= .01
BETA = 87.93 DBETA = .02
ALPHA= 87.76 DALPHA= .03
V= 527.4
6. 25-1647
C7H8CuN5OS
Triklin
Dexp Dcal d(D) h k l
9.5500 9.5496 .0004 0 1 0
6.4100 6.4086 .0014 0 -1 2
5.4300 5.4294 .0006 -1 1 0
4.9800 4.9762 .0038 -1 1 1
4.1400 4.1360 .0040 -1 1 2
3.7500 3.7494 .0006 -1 -2 2
3.6500 3.6490 .0010 -1 2 1
3.5800 3.5810 -.0010 0 1 3
3.4500 3.4466 .0034 0 -1 4
3.2800 3.2810 -.0010 0 0 4
3.1900 3.1929 -.0029 -1 2 2
2.9800 2.9802 -.0002 -1 -2 4
A= 6.2954 DA= .0009
B= 10.047 DB= .001
C= 13.961 DC= .001
GAMMA= 92.35 DGAMMA= .04
BETA = 98.8199 DBETA = .0001
ALPHA=107.36 DALPHA= .03
V= 829.4
7. 25-1648
C6H6CuN4O6S2
Triklin
Dexp Dcal d(D) h k l
9.3100 9.2849 .0251 0 1 1
8.4300 8.4593 -.0293 1 0 0
6.2900 6.2912 -.0012 0 -1 1
6.1300 6.1430 -.0130 1 0 1
6.0600 6.0626 -.0026 1 1 0
4.7700 4.7682 .0018 -1 1 2
4.4300 4.4319 -.0019 -2 1 0
3.9400 3.9395 .0005 0 3 0
3.8200 3.8200 .0000 0 3 2
3.7900 3.7884 .0016 2 0 1
3.6500 3.6509 -.0009 1 2 2
3.6200 3.6197 .0003 1 -1 2
A= 9.039 DA= .004
B= 13.6368 DB= .0006
C= 10.3676 DC= .0004
GAMMA=110.44 DGAMMA= .01
BETA =100.821 DBETA = .009
ALPHA= 65.452 DALPHA= .002
V= 1087.8
8. 25-1649
C12H12CuN6O6S4
Triklin
Dexp Dcal d(D) h k l
8.4200 8.4200 .0000 0 1 1
7.9000 7.8875 .0125 0 -1 1
6.6400 6.6414 -.0014 1 1 1
6.4500 6.4528 -.0028 1 -1 1
6.2700 6.2750 -.0050 0 2 1
6.1200 6.1244 -.0044 -1 0 1
4.7700 4.7678 .0022 0 0 2
4.7200 4.7208 -.0008 0 3 1
4.4400 4.4377 .0023 0 -3 1
4.3600 4.3623 -.0023 2 1 0
4.2300 4.2305 -.0005 2 -1 1
4.0300 4.0293 .0007 1 2 2
A= 9.2666 DA= .0001
B= 15.6758 DB= .0002
C= 9.6867 DC= .0002
GAMMA= 90.615 DGAMMA= .003
BETA = 80.780 DBETA = .001
ALPHA= 85.951 DALPHA= .001
V=1385.0
9. 25-1650
C12H12Clo2CuN4O8S4
Triklin
Dexp Dcal d(D) h k l
7.9800 7.9773 .0027 1 1 0
7.2300 7.2329 -.0029 0 1 1
6.8200 6.8269 -.0069 0 -1 1
6.2900 6.2808 .0092 2 0 0
4.5000 4.5022 -.0022 1 0 2
4.1500 4.1526 -.0026 0 1 2
4.0900 4.0875 .0025 -1 -2 1
3.9900 3.9886 .0014 2 2 0
3.8500 3.8512 -.0012 2 1 2
3.7000 3.6985 .0015 1 -3 1
3.6000 3.5973 .0027 1 2 2
3.5500 3.5525 -.0025 3 0 2
A= 13.299 DA= .004
B= 12.216 DB= .004
C= 9.023 DC= .004
GAMMA=100.04 DGAMMA= .05
BETA = 73.943 DBETA = .003
ALPHA= 89.47 DALPHA= .03
V= 1384.6