1. 25-1624
C6H6Br2CoN2S2
Triklin
Dexp Dcal d(D) h k l
8.8100 8.8106 -.0006 1 0 0
8.4400 8.4414 -.0014 0 1 1
7.6200 7.6296 -.0096 0 -1 1
6.0400 6.0454 -.0054 -1 1 0
5.5400 5.5345 .0055 -1 0 2
3.9900 3.9930 -.0030 2 1 1
3.8200 3.8227 -.0027 2 0 1
3.6900 3.6873 .0027 2 2 1
3.5600 3.5580 .0020 0 -1 3
3.4000 3.4000 -.0000 0 -3 1
3.3100 3.3110 -.0010 -2 -3 1
3.1900 3.1914 -.0014 1 3 2
A= 9.48657 DA= .00007
B= 11.5329 DB= .0002
C= 12.05291 DC= .00006
GAMMA= 73.3859 DGAMMA= .0006
BETA =103.1533 DBETA = .0002
ALPHA= 88.3359 DALPHA= .0005
V=1224.1
2. 25-1626
C6H6Cl2CoN2S2
Triklin
Dexp Dcal d(D) h k l
8.6600 8.6539 .0061 0 1 1
8.2100 8.2105 -.0005 0 -1 1
7.5300 7.5265 .0035 -1 -1 1
5.3800 5.3814 -.0014 -1 2 0
3.9700 3.9701 -.0001 1 -1 2
3.6200 3.6178 .0022 -2 -3 1
3.5700 3.5701 -.0001 0 3 2
3.4600 3.4592 .0008 -1 3 2
3.2000 3.1994 .0006 -3 1 0
3.0900 3.0896 .0004 0 -2 3
3.0300 3.0303 -.0003 2 4 0
2.9920 2.9916 .0004 -2 2 3
A= 10.649 DA= .004
B= 13.845 DB= .004
C= 11.0874 DC= .0008
GAMMA= 83.262 DGAMMA= .001
BETA =105.53 DBETA = .03
ALPHA= 88.834 DALPHA= .009
V= 1561.8
3. 25-1627
C10H8Cl2CoN2
Triklin
Dexp Dcal d(D) h k l
8.3000 8.3030 -.0030 0 1 1
7.9400 7.9427 -.0027 0 -1 1
5.4700 5.4717 -.0017 -1 -1 1
4.7100 4.7107 -.0007 1 -1 1
4.5300 4.5321 -.0021 1 1 1
8.9600 8.9635 -.0035 0 0 1
3.6700 3.6721 -.0021 1 3 1
3.2700 3.2700 .0000 2 0 0
3.1800 3.1802 -.0002 0 -4 2
3.1100 3.1101 -.0001 1 -5 1
2.8700 2.8690 .0010 1 5 1
A= 6.8490 DA= .0001
B= 19.4654 DB= .0009
C= 9.289 DC= .002
GAMMA=100.088 DGAMMA= .003
BETA =104.85 DBETA = .01
ALPHA= 84.28 DALPHA= .01
V= 1176.5
4. 25-1628
C10H8Cl2CoN2*H2O
Triklin
Dexp Dcal d(D) h k l
8.4200 8.4177 .0023 1 0 0
7.6200 7.6217 -.0017 -1 0 1
6.4600 6.4615 -.0014 -1 -2 1
6.2900 6.2946 -.0046 0 -2 1
5.9300 5.9316 -.0016 1 2 0
5.5500 5.5556 -.0056 1 1 1
5.4900 5.4918 -.0018 0 0 2
4.6800 4.6772 .0028 -1 -3 1
4.6200 4.6196 .0004 0 1 2
4.3700 4.3698 .0002 2 1 0
4.1800 4.1810 -.0010 -2 -1 2
3.3100 3.3108 -.0008 0 -4 1
A= 9.299 DA= .001
B= 14.207 DB= .003
C= 12.102 DC= .005
GAMMA= 68.825 DGAMMA= .007
BETA =109.720 DBETA = .007
ALPHA=110.800 DALPHA= .006
V=1352.6
5. 25-1642
C18H18Cl2CoN6O8S6
Rombik
Groupa 16,25,47
Dexp. Dcal. d(D) h k l
8.9100 8.9239 -.0139 1 0 0
7.1600 7.1603 -.0003 0 1 1
5.9800 5.9919 -.0119 1 0 1
5.1500 5.1378 .0122 0 3 0
4.4600 4.4619 -.0019 2 0 0
4.3300 4.3364 -.0064 0 3 1
4.0400 4.0429 -.0029 0 0 2
3.9000 3.9003 -.0003 1 3 1
3.6800 3.6826 -.0026 1 0 2
3.3700 3.3688 .0012 2 3 0
3.1100 3.1097 .0003 2 3 1
2.9960 2.9931 .0029 1 3 2
a= 8.924 b=15.413 c= 8.086
da= .002 db= .002 dc= .006
V=1112
6. 25-1643
C14H12CoN6S6
Triklin
Dexp Dcal d(D) h k l
9.0800 9.0837 -.0037 0 1 1
8.2100 8.1971 .0129 0 -1 1
6.9200 6.9165 .0035 -1 0 1
6.7700 6.7763 -.0063 -1 1 1
6.4300 6.4202 .0098 -1 -1 1
4.5900 4.5931 -.0031 1 -2 1
4.4800 4.4818 -.0018 -1 4 1
4.3500 4.3485 .0015 0 5 0
4.2100 4.2149 -.0049 0 3 2
4.0900 4.0922 -.0022 -1 -4 1
4.0400 4.0398 .0002 -1 -2 2
3.8300 3.8333 -.0033 2 0 0
A= 7.964 DA= .001
B= 21.970 DB= .009
C= 9.832 DC= .002
GAMMA= 91.58 DGAMMA= .01
BETA =105.69 DBETA = .01
ALPHA= 81.79 DALPHA= .02
V= 1639.0
1. 26-1409
Co{NH3}6{IO2F2}3*H2O
Triklin
Dexp Dcal d(D) h k l
3.4300 3.4287 .0013 -1 1 0
3.3000 3.3004 -.0004 -1 0 2
3.1000 3.1005 -.0005 0 1 1
3.0400 3.0414 -.0014 0 -1 2
2.8560 2.8563 -.0003 -1 1 1
2.0310 2.0313 -.0003 -2 0 3
2.0030 2.0028 .0002 1 -1 4
1.9750 1.9747 .0003 3 1 2
1.9540 1.9541 -.0001 4 -1 2
1.5410 1.5408 .0002 1 2 2
1.4630 1.4628 .0002 -3 0 4
1.4430 1.4430 .0000 6 0 2
A= 8.7536 DA= .0001
B= 3.7820 DB= .0001
C= 8.4658 DC= .0003
GAMMA= 95.993 DGAMMA= .001
BETA = 74.573 DBETA = .002
ALPHA=103.280 DALPHA= .003
V=262.7
2. 26-1545
C15H30AlCoN6O12
Triklin
Dexp Dcal d(D) h k l
5.1800 5.1845 -.0045 1 0 0
4.7400 4.7394 .0006 -1 0 1
4.3100 4.3072 .0028 -1 -2 1
4.1100 4.1107 -.0007 1 2 0
3.8900 3.8911 -.0011 -1 2 0
3.6400 3.6390 .0010 1 -1 1
3.3700 3.3723 -.0023 0 -2 2
3.1400 3.1367 .0033 0 4 0
2.7500 2.7527 -.0027 1 4 0
2.6200 2.6197 .0003 -1 4 0
2.5200 2.5189 .0011 -2 1 1
2.3800 2.3805 -.0005 -1 -1 3
2.3100 2.3099 .0001 1 5 0
2.1200 2.1196 .0004 0 1 3
2.0600 2.0604 -.0004 -2 2 2
A= 5.4110 DA= .0005
B= 13.136 DB= .006
C= 7.302 DC= .001
GAMMA= 82.353 DGAMMA= .009
BETA =106.34 DBETA = .01
ALPHA=106.936 DALPHA= .001
V= 475.7
3. 26-1632
C16H18CoN8O2S2
Triklin
Dexp Dcal d(D) h k l
15.0000 15.0058 -.0058 0 1 0
8.0300 8.0310 -.0010 1 0 1
7.4800 7.4798 .0002 1 1 1
4.9600 4.9597 .0003 1 0 2
4.7500 4.7494 .0006 -1 -2 1
3.8800 3.8806 -.0006 -2 2 0
3.3700 3.3697 .0003 2 -2 2
3.2200 3.2199 .0001 1 2 3
3.1800 3.1797 .0003 3 0 0
3.0200 3.0200 .0000 3 2 0
2.7800 2.7800 -.0000 3 3 2
2.6100 2.6101 -.0001 -2 -3 2
2.4800 2.4798 .0002 2 0 4
2.2800 2.2800 .0000 3 5 0
A= 9.970 DA= .004
B= 15.12 DB= .01
C= 10.277 DC= .008
GAMMA= 83.91 DGAMMA= .06
BETA = 73.77 DBETA = .05
ALPHA= 84.66 DALPHA= .07
V= 1476.3
4. 26-1633
CoH19Cl2CoN4O10
Triklin
Dexp Dcal d(D) h k l
8.3600 8.3596 .0004 0 1 1
7.7200 7.7203 -.0003 1 1 0
6.7900 6.8044 -.0144 0 -1 1
5.8600 5.8621 -.0021 1 2 1
5.0700 5.0700 -.0000 -1 -1 1
4.9400 4.9374 .0026 0 0 2
4.7500 4.7484 .0016 1 2 2
4.5500 4.5483 .0017 0 -2 1
4.2300 4.2305 -.0005 2 1 2
4.1800 4.1798 .0002 0 2 2
4.1400 4.1389 .0011 2 0 0
4.0600 4.0604 -.0004 2 2 2
3.9000 3.9003 -.0003 1 -2 1
3.5800 3.5808 -.0008 -1 1 2
A= 9.409 DA= .007
B= 12.466 DB= .007
C= 11.07 DC= .01
GAMMA= 69.09 DGAMMA= .05
BETA = 65.66 DBETA = .04
ALPHA= 71.24 DALPHA= .05378
V= 1081.9
5. 26-1634
C26H16ClCoN4O4*4H2O
Triklin
Dexp Dcal d(D) h k l
9.4800 9.4782 .0018 1 0 0
8.0700 8.0613 .0087 1 1 0
7.0400 7.0580 -.0180 0 -1 1
6.8800 6.9190 -.0390 1 0 1
6.7000 6.7046 -.0046 -1 1 0
6.1500 6.1427 .0073 -1 0 1
5.7100 5.7032 .0068 0 2 0
4.8300 4.8249 .0051 0 -2 1
4.7800 4.7858 -.0058 0 2 1
4.7400 4.7391 .0009 2 0 0
4.6800 4.6956 -.0156 2 1 0
4.5200 4.5299 -.0099 -1 2 0
A= 9.7145 DA= .0002
B= 11.6086 DB= .0009
C= 8.9858 DC= .0004
GAMMA= 79.309 DGAMMA= .001
BETA = 83.167 DBETA = .005
ALPHA= 89.241 DALPHA= .005
V=988.4
6. 26-1635
CH4Br2CoO
Rombik
Groupa 33,49,62
Dexp. Dcal. d(D) h k l
8.9700 8.9435 .0265 2 0 0
7.3600 7.3182 .0418 2 0 1
4.1900 4.1874 .0026 0 1 1
3.1500 3.1486 .0014 4 1 0
3.0800 3.0782 .0018 4 0 3
2.9800 2.9812 -.0012 6 0 0
2.9000 2.9001 -.0001 2 1 3
2.7250 2.7265 -.0015 3 1 3
2.5590 2.5590 .0000 1 1 4
a=17.89 b= 4.434 c=12.731
da= .01 db= .001 dc= .002
V=1010
7. 26-1637
C2H8Br2CoO2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.8400 7.8436 -.0036 1 1 0
5.8400 5.8454 -.0054 1 1 1
4.7700 4.7700 .0000 2 0 0
3.3100 3.3086 .0014 2 3 0
3.1700 3.1695 .0005 -3 0 1
3.0100 3.0101 -.0001 0 2 3
2.9100 2.9101 -.0001 3 0 1
2.6800 2.6808 -.0008 3 2 1
2.4690 2.4691 -.0001 0 1 4
2.3850 2.3850 .0000 4 0 0
2.3440 2.3434 .0006 1 0 4
2.2020 2.2024 -.0004 0 3 4
1.8900 1.8900 .0000 5 1 0
1.7820 1.7820 .0000 1 7 2
a= 9.646 b= 13.780 c= 10.1507 beta= 98.50
da=.001 db=.002 dc=.0007 dbeta=.06
V= 1334.4
Triklin
Dexp Dcal d(D) h k l
7.8400 7.8301 .0099 1 1 0
5.8400 5.8399 .0001 0 1 1
4.7700 4.7695 .0005 0 -1 1
3.3100 3.3100 .0000 1 3 0
3.1700 3.1700 .0000 0 0 2
3.0100 3.0103 -.0003 1 -2 1
2.9100 2.9093 .0007 2 0 2
2.6800 2.6800 .0000 -1 1 2
2.4690 2.4690 .0000 1 4 0
2.3850 2.3848 .0002 0 -2 2
2.3440 2.3441 -.0001 4 3 1
2.2020 2.2020 -.0000 2 3 3
1.8900 1.8901 -.0001 5 2 2
1.7820 1.7821 -.0001 0 -2 3
A= 9.7396 DA= .0001
B= 10.569 DB= .003
C= 6.973 DC= .001
GAMMA= 63.27 DGAMMA= .02
BETA = 68.56 DBETA = .03
ALPHA= 69.99 DALPHA= .02
V= 582.8
8. 26-1638
C3H12Br2CoO3
Triklin
Dexp Dcal d(D) h k l
7.7600 7.7579 .0021 0 1 1
7.4200 7.4163 .0037 1 0 0
6.5700 6.5712 -.0012 0 -1 1
6.1500 6.1530 -.0030 -1 1 0
5.7800 5.7796 .0004 -1 0 1
4.9800 4.9782 .0018 0 1 2
3.9700 3.9696 .0004 1 -1 2
3.4900 3.4902 -.0002 0 1 3
3.2500 3.2501 -.0001 1 1 3
2.9400 2.9400 .0000 2 -2 1
2.6000 2.6000 -.0000 -2 -2 1
A= 7.48241 DA= .00002
B= 9.748 DB= .003
C= 10.7337 DC= .0005
GAMMA= 94.482 DGAMMA= .005
BETA = 84.629 DBETA = .002
ALPHA= 80.99 DALPHA= .02
V= 766.4
9. 26-1640
C16H16Cl2CoN8O2S2
Triklin
Dexp Dcal d(D) h k l
7.0000 6.9992 .0008 1 0 0
5.9800 5.9752 .0048 -1 1 0
5.6200 5.6072 .0128 -1 0 1
5.3000 5.2892 .0108 0 0 2
5.1100 5.1193 -.0093 -1 1 1
4.6500 4.6530 -.0030 1 1 0
4.1200 4.1230 -.0030 -1 -1 1
3.8900 3.8872 .0028 -1 1 2
3.7000 3.6963 .0037 0 2 1
3.5800 3.5818 -.0018 1 -2 1
3.5000 3.4996 .0004 2 0 0
3.2700 3.2709 -.0009 1 0 3
A= 7.245 DA= .001
B= 7.9909 DB= .0007
C= 10.627 DC= .001
GAMMA=104.07 DGAMMA= .03
BETA = 85.36 DBETA = .01
ALPHA= 88.31 DALPHA= .07
V=596.3
10. 26-1641
C6H4CoN6O6
Rombik
Groupa 31,59
Dexp. Dcal. d(D) h k l
4.4900 4.4957 -.0057 1 1 0
3.9600 3.9535 .0065 1 1 1
3.3800 3.3891 -.0091 2 1 0
2.9820 2.9780 .0040 3 0 0
2.6020 2.6012 .0008 0 2 0
2.4680 2.4677 .0003 3 1 1
2.3570 2.3571 -.0001 1 1 3
2.2340 2.2335 .0005 4 0 0
2.1560 2.1568 -.0008 4 0 1
a= 8.934 b= 5.202 c= 8.304
da= .001 db= .006 dc= .005
v= 385.9
11. 26-1642
C6H4CoN6O6*6H2O
Triklin
Dexp Dcal d(D) h k l
10.1000 10.1002 -.0002 1 0 0
8.3400 8.3382 .0018 0 1 0
6.9400 6.9390 .0010 1 1 1
5.7100 5.7049 .0051 1 -1 1
5.2500 5.2460 .0040 -1 1 1
5.0400 5.0501 -.0101 2 0 0
4.8600 4.8569 .0031 2 1 1
4.2700 4.2704 -.0004 -2 1 0
4.0100 4.0077 .0023 -2 0 1
3.3200 3.3205 -.0005 -1 -2 1
3.1200 3.1196 .0004 -2 0 2
2.9910 2.9915 -.0005 -1 1 3
A= 11.025 DA= .002
B= 8.5545 DB= .0008
C= 11.910 DC= .008
GAMMA= 83.56 DGAMMA= .01
BETA = 66.42 DBETA = .02
ALPHA= 77.18 DALPHA= .02
V=1003.2
12. 26-1643
C6H8CoO4S2
Triklin
Dexp Dcal d(D) h k l
8.3400 8.3448 -.0048 1 0 0
6.1000 6.0964 .0036 0 1 0
4.7200 4.7189 .0011 0 0 1
4.1700 4.1705 -.0005 -1 -1 1
3.7500 3.7487 .0013 1 0 1
3.5700 3.5678 .0022 -2 0 1
3.0900 3.0899 .0001 1 2 0
2.6800 2.6800 .0000 -1 2 0
2.4100 2.4101 -.0001 -1 -1 2
2.3700 2.3700 -.0000 -3 -2 1
2.0000 2.0001 -.0001 -2 1 2
1.7600 1.7600 -.0000 4 1 1
1.5900 1.5900 .0000 2 -3 1
A= 8.8786 DA= .0002
B= 6.34987 DB= .00008
C= 4.9326 DC= .0002
GAMMA= 75.1918 DGAMMA= .0007
BETA =105.570 DBETA = .006
ALPHA=100.257 DALPHA= .001
V= 257.2
13. 26-1644
C6H8CoO4S2*2H2O
Triklin
Dexp Dcal d(D) h k l
8.1800 8.1812 -.0012 1 0 0
6.1900 6.1838 .0062 -1 1 0
5.8200 5.8250 -.0050 -1 0 1
5.2400 5.2175 .0225 1 0 1
5.0300 5.0235 .0065 -1 1 1
4.0500 4.0484 .0016 -1 -1 1
3.5600 3.5565 .0035 -1 2 0
3.1700 3.1711 -.0011 0 2 1
3.0400 3.0404 -.0004 1 -1 2
2.9200 2.9192 .0008 -2 1 2
2.7000 2.6988 .0012 1 2 1
2.5100 2.5118 -.0018 -2 2 2
A= 8.569 DA= .002
B= 7.2121 DB= .0003
C= 7.479 DC= .001
GAMMA=106.14 DGAMMA= .03
BETA = 97.033 DBETA = .004
ALPHA= 86.57 DALPHA= .02
V= 440.5
|
14. 26-1645
C10h12CoO8S4*6H2O
Triklin
Dexp Dcal d(D) h k l
7.1900 7.1911 -.0011 1 0 1
5.6300 5.6636 -.0336 1 1 1
4.8700 4.8720 -.0020 1 -1 1
4.5300 4.5299 .0001 1 1 2
4.1300 4.1295 .0005 -1 -1 1
3.7000 3.7025 -.0025 0 2 2
3.4800 3.4782 .0018 0 1 3
3.1400 3.1404 -.0004 -2 1 2
3.0800 3.0782 .0018 -2 2 1
2.8100 2.8098 .0002 2 -2 1
2.6600 2.6602 -.0002 -3 0 1
2.5100 2.5099 .0001 1 3 1
A= 8.897 DA= .002
B= 8.148 DB= .001
C= 10.578 DC= .002
GAMMA= 94.36 DGAMMA= .02
BETA = 81.74 DBETA = .02
ALPHA= 70.241 DALPHA= .009
V= 707.8
15. 26-1646
C5H9CoNO4P2
Triklin
Dexp Dcal d(D) h k l
7.4300 7.4377 -.0077 1 0 0
6.0400 6.0336 .0064 0 1 1
5.3700 5.3761 -.0061 0 -1 1
4.6700 4.6794 -.0094 1 0 1
4.1800 4.1836 -.0036 1 -1 1
3.9600 3.9591 .0009 0 2 1
3.7700 3.7708 -.0008 -2 0 1
3.7200 3.7188 .0012 2 0 0
3.6000 3.6012 -.0012 0 1 2
3.3100 3.3082 .0018 0 -1 2
3.2200 3.2208 -.0008 2 1 0
3.0200 3.0185 .0015 2 0 1
A= 7.92302 DA= .00001
B= 8.9411 DB= .0004
C= 7.9304 DC= .0001
GAMMA=102.464 DGAMMA= .001
BETA =107.5891 DBETA = .0003
ALPHA= 80.0324 DALPHA= .0003
V=519.3
16. 26-1649
C34H24CoHgN10S4
Triklin
Dexp Dcal d(D) h k l
11.1000 11.0793 .0207 1 0 0
10.3000 10.2756 .0244 -1 0 1
9.6000 9.5660 .0340 0 -1 1
8.8700 8.8572 .0128 1 -1 0
8.0800 8.0628 .0172 -1 -1 1
7.4100 7.4217 -.0117 0 2 0
6.9300 6.9498 -.0198 -1 0 2
6.6900 6.6763 .0137 -1 1 2
6.3400 6.3398 .0002 -1 2 1
6.0600 6.0605 -.0004 0 -1 2
5.4600 5.4630 -.0030 -2 1 1
5.2100 5.2105 -.0005 1 1 2
A= 11.5706 DA= .0003
B= 15.028 DB= .001
C= 15.009 DC= .001
GAMMA= 92.31 DGAMMA= .01
BETA =106.762 DBETA = .005
ALPHA= 81.011 DALPHA= .001
V=2468
17. 26-1650
C12H16CoHgO2S4
Triklin
Dexp Dcal d(D) h k l
7.8600 7.8646 -.0046 1 0 0
7.4600 7.4682 -.0082 -1 1 0
7.1000 7.0926 .0074 1 0 1
6.6800 6.6872 -.0072 1 1 0
6.2900 6.2873 .0027 -1 0 1
5.9000 5.8991 .0009 1 1 1
5.6800 5.6846 -.0046 0 -2 2
4.9800 4.9802 -.0002 -1 -2 1
4.8700 4.8735 -.0035 -1 2 1
4.7000 4.6972 .0028 -1 3 0
4.5600 4.5578 .0022 -1 -1 2
4.1600 4.1600 .0000 0 0 3
A= 8.0686 DA= .0009
B= 16.711 DB= .001
C= 13.1449 DC= .0002
GAMMA=100.444 DGAMMA= .007
BETA = 79.7963 DBETA = .0005
ALPHA=106.689 DALPHA= .006
V=1654
18. 26-1651
C40H30CoHgN4P2S4
Triklin
Dexp Dcal d(D) h k l
12.2000 12.2707 -.0707 1 0 0
11.8000 11.7808 .0192 0 1 1
9.5000 9.4898 .0102 0 -1 1
7.7200 7.7168 .0032 1 0 2
7.2300 7.2455 -.0155 1 -1 1
6.8600 6.8602 -.0002 -1 0 2
6.5300 6.5323 -.0023 0 2 1
6.2200 6.2225 -.0025 -1 1 2
5.9700 5.9692 .0008 0 1 3
5.6600 5.6584 .0016 0 -2 1
5.3400 5.3404 -.0004 -2 -1 1
5.1700 5.1668 .0032 -2 1 0
A= 12.69151 DA= .00003
B= 13.53315 DB= .00002
C= 18.7321 DC= .0004
GAMMA= 76.968 DGAMMA= .001
BETA = 80.029 DBETA = .001
ALPHA= 75.230 DALPHA= .001
V=3006.4
19. 26-1652
C36H24Cl2CoN6O11
Triklin
Dexp Dcal d(D) h k l
11.6000 11.6061 -.0061 0 0 1
10.5000 10.4960 .0040 1 0 0
9.9300 9.9354 -.0054 0 -1 1
4.1500 4.1506 -.0006 0 -3 1
4.0000 4.0007 -.0007 -1 3 0
3.9100 3.9111 -.0011 1 2 1
3.8100 3.8101 -.0001 0 -2 3
3.7500 3.7500 .0000 -2 -2 2
3.6800 3.6802 -.0002 -2 0 3
3.5500 3.5499 .0001 -2 3 0
3.4900 3.4900 .0000 -3 0 2
3.3900 3.3897 .0003 0 1 3
A= 11.099 DA= .002
B= 12.583 DB= .001
C= 12.572 DC= .004
GAMMA= 97.93 DGAMMA= .01
BETA =104.46 DBETA = .02
ALPHA=104.78 DALPHA= .01
V= 1605.4
20. 26-1653
C12H16Cl3CoN4*H2O
Triklin
Dexp Dcal d(D) h k l
7.6600 7.6766 -.0166 -1 2 0
7.1500 7.1358 .0142 1 2 0
6.6500 6.6255 .0245 0 1 1
5.2200 5.2235 -.0035 -2 2 0
4.9300 4.9180 .0120 -2 1 1
4.7600 4.7603 -.0003 1 -2 1
4.7100 4.7040 .0060 0 4 0
4.6500 4.6570 -.0070 -2 -1 1
4.4900 4.4916 -.0016 0 -3 1
4.1000 4.0932 .0068 2 -1 1
4.0000 4.0070 -.0070 -1 4 1
3.8400 3.8383 .0017 3 1 0
A= 12.17 DA= .01
B= 18.93 DB= .02
C= 7.02 DC= .02
GAMMA= 95.05 DGAMMA= .06
BETA = 100.0 DBETA = .2
ALPHA= 85.31 DALPHA= .01
V=1583
21. 26-1654
C24H32Cl4Co2N8O6S2
Triklin
Dexp Dcal d(D) h k l
10.5000 10.5389 -.0389 1 0 0
8.6700 8.6727 -.0027 0 1 0
7.2900 7.2983 -.0083 -1 0 1
6.5500 6.5421 .0079 0 -1 1
5.8900 5.8976 -.0076 1 -1 1
5.8400 5.8378 .0022 1 0 1
5.6600 5.6614 -.0014 1 1 0
5.2700 5.2695 .0005 2 0 0
4.9700 4.9690 .0010 -2 0 1
4.9400 4.9400 .0000 -2 1 1
4.3800 4.3792 .0008 2 -1 1
4.3200 4.3198 .0002 -2 2 0
A= 11.713 DA= .001
B= 9.536 DB= .001
C= 8.406 DC= .001
GAMMA=112.5045 DGAMMA= .0001
BETA = 99.950 DBETA = .002
ALPHA= 95.42 DALPHA= .02
V=840.3
22. 26-1655
C12H12Cl2CoN6O11*H2O
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.9300 9.9494 -.0194 0 0 1
5.8600 5.8545 .0055 1 1 0
5.7500 5.7478 .0022 1 1 1
4.5500 4.5508 -.0008 -1 1 1
4.4100 4.4037 .0063 1 1 2
4.2900 4.2980 -.0080 0 1 2
4.0200 4.0225 -.0025 2 0 0
3.8500 3.8458 .0042 2 1 1
3.7400 3.7413 -.0013 1 2 1
3.6800 3.6791 .0009 -1 0 2
2.8600 2.8614 -.0014 3 0 1
a= 8.625 b= 8.536 c=10.667 beta= 68.9
da=.001 db= .006 dc=.004 dbeta=.2
V= 732.5
23. 26-1656
C14H8CoN2O8*2H2O
triklin
Dexp Dcal d(D) h k l
6.6100 6.6039 .0061 1 0 0
6.3100 6.3068 .0032 -1 0 1
6.0300 6.0443 -.0143 1 0 1
5.7200 5.7184 .0016 0 -1 1
5.1900 5.1919 -.0019 1 1 2
5.0800 5.0986 -.0186 1 0 2
4.8100 4.8117 -.0017 0 -1 2
4.3300 4.3344 -.0044 0 0 4
4.2300 4.2176 .0124 1 0 3
4.0400 4.0389 .0011 -1 -1 3
3.8300 3.8267 .0033 -1 1 0
3.6400 3.6427 -.0027 1 -1 1
A= 7.3393 DA= .0003
B= 7.144 DB= .001
C= 17.523 DC= .003
GAMMA= 64.38 DGAMMA= .01
BETA = 90.04 DBETA = .02
ALPHA= 82.49 DALPHA= .02
V=821
24. 26-1657
C12H8CoN2O4*4H2O
Triklin
Dexp Dcal d(D) h k l
8.7600 8.7427 .0173 0 1 0
6.1900 6.1808 .0092 1 0 1
5.5600 5.5623 -.0023 0 -1 2
4.5600 4.5600 -.0000 1 0 2
4.4200 4.4158 .0042 1 2 0
4.1700 4.1729 -.0029 1 1 2
4.1000 4.1000 .0000 -1 0 3
3.6000 3.5996 .0004 2 1 1
3.4000 3.4013 -.0013 0 2 2
3.2800 3.2804 -.0004 1 2 2
3.2200 3.2199 .0001 1 -1 3
3.1400 3.1389 .0011 2 2 1
A= 8.445 DA= .001
B= 9.363 DB= .004
C= 13.390 DC= .001
GAMMA= 70.551 DGAMMA= .006
BETA =104.14 DBETA = .03
ALPHA=102.05 DALPHA= .06
V= 958.6
25. 26-1658
C7H3CoNO4*4H2O
Triklin
Dexp Dcal d(D) h k l
12.3000 12.3198 -.0198 1 0 0
9.4100 9.4183 -.0083 -1 1 0
8.4700 8.4641 .0059 0 0 1
6.5800 6.5797 .0003 0 -1 1
6.0500 6.0600 -.0100 -1 2 0
5.8300 5.8227 .0073 0 2 1
5.5700 5.5688 .0012 -1 -1 1
5.1900 5.1918 -.0018 2 0 1
4.9300 4.9306 -.0006 2 1 1
4.7500 4.7491 .0009 2 -1 1
4.4400 4.4400 -.0000 0 3 0
4.2300 4.2320 -.0020 0 0 2
A= 12.388 DA= .001
B= 13.614 DB= .0008
C= 8.6554 DC= .0001
GAMMA= 93.617 DGAMMA= .005
BETA = 85.996 DBETA = .008
ALPHA= 78.921 DALPHA= .003
V=1424
26. 26-1659
C12H8CoN2O4*4H2O
Triklin
Dexp Dcal d(D) h k l
7.5600 7.5743 -.0143 1 0 0
6.6000 6.5875 .0125 -1 1 1
6.3100 6.3078 .0022 -1 -1 1
6.0600 6.0589 .0011 1 2 0
5.3700 5.3716 -.0016 0 -2 1
4.2700 4.2586 .0114 -1 1 2
4.2400 4.2391 .0009 -1 0 2
3.9900 3.9902 -.0002 -1 -1 2
3.9100 3.9149 -.0049 0 2 2
3.5900 3.5894 .0006 -1 4 0
3.4700 3.4699 .0001 -2 0 2
3.3600 3.3621 -.0021 -2 -1 2
A= 8.1801 DA= .0001
B= 17.692 DB= .002
C= 8.70467 DC= .00001
GAMMA= 87.336 DGAMMA= .007
BETA =111.246 DBETA = .003
ALPHA= 80.658 DALPHA= .001
V=1151.3
27. 26-1660
C10H8CoN2O6*4H2O
Triklin
Dexp Dcal d(D) h k l
7.1700 7.1729 -.0029 -1 1 0
6.4900 6.4761 .0139 1 1 1
6.1100 6.0919 .0181 1 -1 1
5.1300 5.1345 -.0045 1 1 2
4.9000 4.9004 -.0004 -2 1 0
4.4000 4.4020 -.0020 -1 -1 1
4.3300 4.3271 .0029 2 1 2
4.1000 4.0971 .0029 2 1 0
3.8000 3.7997 .0003 1 0 3
3.7700 3.7722 -.0022 3 0 2
3.5800 3.5817 -.0017 1 2 0
3.5000 3.4998 .0002 -3 1 0
A= 11.80329 DA= .00002
B= 8.4770 DB= .0002
C= 11.6976 DC= .0003
GAMMA= 95.534 DGAMMA= .003
BETA = 66.297 DBETA = .004
ALPHA= 78.8424 DALPHA= .0007
V=1031.4
28. 26-1661
C10H10Br2CoN2S2
Triklin
Dexp Dcal d(D) h k l
12.9000 12.8682 .0318 1 0 0
10.7000 10.6365 .0635 0 1 0
8.8000 8.8133 -.0133 1 0 1
6.8100 6.8081 .0019 -1 0 1
6.4300 6.4328 -.0028 -1 -1 1
6.0100 6.0149 -.0049 0 1 1
5.4000 5.3978 .0022 1 -1 2
4.8600 4.8582 .0018 2 -1 2
4.6700 4.6712 -.0012 2 1 1
4.4300 4.4316 -.0016 2 -2 2
4.2900 4.2894 .0006 3 0 0
4.1000 4.1002 -.0002 -1 0 2
A= 13.676 DA= .002
B= 11.80 DB= .02
C= 10.830 DC= .003
GAMMA=102.65 DGAMMA= .09
BETA = 70.93 DBETA = .03
ALPHA=115.14 DALPHA= .04
V= 1488.8
29. 26-1662
C10H10CoCl2N2S2
Triklin
Dexp Dcal d(D) h k l
12.4000 12.3766 .0234 1 0 0
10.9000 10.8826 .0174 0 1 0
8.3200 8.3120 .0080 0 1 1
6.9900 6.9800 .0100 1 1 0
6.3300 6.3291 .0009 0 -1 1
5.7300 5.7300 .0000 2 -1 1
5.3800 5.3791 .0009 0 2 1
4.8900 4.8910 -.0010 -1 -1 1
4.5900 4.5912 -.0012 1 2 1
4.4100 4.4104 -.0004 1 2 0
3.6800 3.6801 -.0001 -2 3 1
3.4900 3.4900 .0000 2 2 0
A= 13.614 DA= .008
B= 11.941 DB= .006
C= 9.974 DC= .006
GAMMA=108.89 DGAMMA= .02
BETA = 78.60 DBETA = .01
ALPHA= 79.33 DALPHA= .03
V= 1448
30. 26-1663
C20H20CoN6O6S4
Rombik
Groupa 16,25,47
Dexp. Dcal. d(D) h k l
17.7000 17.8603 -.1603 1 0 0
12.6000 12.5927 .0073 0 0 1
11.2000 11.4183 -.2183 0 1 0
9.0100 8.9302 .0798 2 0 0
7.0300 7.0343 -.0043 2 1 0
6.2900 6.2963 -.0063 0 0 2
5.4500 5.4381 .0119 1 2 0
4.8600 4.8685 -.0085 3 1 1
4.0400 4.0453 -.0053 3 1 2
3.8500 3.8473 .0027 1 1 3
3.5000 3.5013 -.0013 2 3 0
3.3900 3.3875 .0025 4 2 1
a=17.86 b=11.418 c=12.59
da= .01 db= .006 dc= .01
V=2568
Triklin
Dexp Dcal d(D) h k l
17.7000 17.6790 .0210 0 1 0
12.6000 12.5898 .0102 0 1 1
11.2000 11.2105 -.0105 1 0 0
9.0100 9.0097 .0003 0 -1 1
7.0300 7.0301 -.0001 1 2 1
6.2900 6.2904 -.0004 -1 1 2
5.4500 5.4499 .0001 0 -1 2
4.8600 4.8601 -.0001 -1 3 0
4.0400 4.0399 .0001 -2 -2 2
3.8500 3.8501 -.0001 -1 -3 2
3.5000 3.5001 -.0001 3 1 1
3.3900 3.3899 .0001 3 0 1
A= 11.5795 DA= .0009
B= 18.9311 DB= .0007
C= 13.8036 DC= .0009
GAMMA= 83.177 DGAMMA= .007
BETA = 99.933 DBETA = .005
ALPHA= 71.841 DALPHA= .001
V= 2783.49
31. 26-1664
C6H15CoNO7S
Triklin
Dexp Dcal d(D) h k l
8.5400 8.5374 .0026 0 1 0
6.1600 6.1525 .0075 1 0 0
5.1900 5.1909 -.0009 0 -1 2
4.1300 4.1310 -.0010 1 1 1
4.0300 4.0319 -.0019 1 -1 2
3.6400 3.6374 .0026 0 2 1
3.4500 3.4514 -.0014 -1 -2 1
3.3800 3.3792 .0008 1 2 0
3.1600 3.1587 .0013 1 -1 3
2.9700 2.9700 -.0000 -2 0 1
2.6100 2.6099 .0001 -2 -1 2
2.4500 2.4502 -.0002 -1 3 1
2.3700 2.3700 -.0000 2 -1 3
2.1800 2.1801 -.0001 1 1 4
A= 6.1736 DA= .0004
B= 8.896 DB= .003
C= 11.05972 DC= .00001
GAMMA= 94.622 DGAMMA= .007
BETA = 89.776 DBETA = .004
ALPHA=105.64 DALPHA= .03
V= 582.9 |