1. 24-0144
Bi2NiTh
Triklin
Dexp Dcal d(D) h k l
3.2502 3.2484 .0018 -1 0 4
3.0702 3.0674 .0029 0 1 0
2.9382 2.9362 .0019 0 -1 2
2.7862 2.7859 .0003 1 -1 2
2.6692 2.6697 -.0005 1 -1 3
2.5941 2.5931 .0010 0 -1 4
2.3522 2.3506 .0015 -1 1 4
2.2621 2.2598 .0024 -1 0 7
2.2122 2.2115 .0007 0 -1 6
2.1702 2.1712 -.0011 1 1 4
2.1231 2.1256 -.0025 -2 1 0
2.0691 2.0712 -.0020 0 0 9
A= 5.071 DA= .005
B= 3.121 DB= .001
C= 18.74 DC= .01
GAMMA=100.58640 DGAMMA= .00007
BETA = 84.26 DBETA = .07
ALPHA= 92.51 DALPHA= .01
V= 290.0
2. 24-0582
Ni3Pb2Se2
Triklin
Dexp Dcal d(D) h k l
4.7003 4.7028 -.0025 -1 -1 1
4.0002 4.0008 -.0005 -1 1 1
2.8762 2.8746 .0016 1 1 3
2.7952 2.7908 .0044 3 1 1
2.4052 2.4018 .0034 -2 2 0
2.3752 2.3771 -.0019 -1 -3 1
2.2842 2.2848 -.0007 3 1 3
1.9942 1.9947 -.0006 1 3 3
1.8741 1.8743 -.0002 0 -3 3
1.8441 1.8455 -.0014 -1 -3 3
1.8041 1.8034 .0007 1 -3 3
1.7831 1.7834 -.0003 4 3 2
A= 8.44573 DA= .00001
B= 7.597 DB= .008
C= 9.092 DC= .003
GAMMA= 74.68 DGAMMA= .03
BETA = 76.28 DBETA = .03
ALPHA= 86.09 DALPHA= .06
V= 546.6
3. 24-1798
C16H18N8NiO2S2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
15.1186 14.9302 .1884 0 0 1
7.9873 7.9613 .0259 1 1 0
7.4567 7.4651 -.0084 0 0 2
5.4750 5.4825 -.0075 1 1 2
4.9644 4.9691 -.0047 2 1 1
4.8542 4.8553 -.0010 1 2 0
4.7441 4.7339 .0103 2 0 2
3.8733 3.8749 -.0015 2 0 3
3.3930 3.3937 -.0007 1 3 0
3.2028 3.2017 .0011 2 0 4
3.0827 3.0828 -.0001 -1 3 2
2.8525 2.8536 -.0011 4 1 1
2.7724 2.7725 -.0001 -4 0 2
2.6023 2.6022 .0001 0 2 5
1.9317 1.9316 .0001 5 3 2
a= 12.044 b= 10.611 c= 14.9333 beta= 88.83
da=.004 db=.002 dc=.0003 dbeta=.03
V= 1908.2
4. 24-1800
C16H16Cl2N8NiO2S2
Triklin
Dexp Dcal d(D) h k l
7.0063 7.0100 -.0037 0 0 1
5.9651 5.9655 -.0004 -1 0 1
5.5648 5.5630 .0018 0 -2 1
5.4549 5.4638 -.0089 -1 1 1
5.0145 5.0089 .0056 -1 -2 1
4.6541 4.6419 .0123 -1 2 1
4.1236 4.1246 -.0009 0 3 1
3.7032 3.7037 -.0005 -2 0 1
3.5731 3.5720 .0011 -1 0 2
3.2629 3.2623 .0006 0 5 0
3.0527 3.0527 -.0000 2 3 0
2.9626 2.9634 -.0008 -1 -5 1
A= 7.6514 DA= .0001
B= 16.383 DB= .005
C= 7.328 DC= .002
GAMMA= 88.18 DGAMMA= .02
BETA =106.21 DBETA = .06
ALPHA= 95.351 DALPHA= .002
V= 878.3
5. 24-1801
C42H36Cl2N6NiO3
Triklin
Dexp Dcal d(D) h k l
16.7158 16.7523 -.0365 1 0 0
10.2089 10.2093 -.0004 1 1 0
8.4272 8.4117 .0155 1 0 1
6.7061 6.7066 -.0005 -1 -1 1
5.6050 5.6034 .0016 0 -2 0
5.4047 5.4044 .0003 3 1 0
5.1246 5.1258 -.0012 2 -1 1
4.7942 4.7938 .0003 -3 0 1
4.6041 4.6051 -.0010 -1 0 2
3.9033 3.9030 .0003 -2 -1 2
3.4030 3.4031 -.0001 3 3 0
A= 17.0446 DA= .0002
B= 11.4450 DB= .0006
C= 9.67087 DC= .00004
GAMMA= 79.427 DGAMMA= .001
BETA = 88.041 DBETA = .001
ALPHA= 84.68362 DALPHA= .00167
V=1846
6. 24-1818
C6H16Cl2N8NiO2S2
Triklin
Dexp Dcal d(D) h k l
11.2012 11.2063 -.0051 0 0 2
9.2502 9.2384 .0118 0 1 0
7.8005 7.7913 .0091 0 -1 2
6.9108 6.9098 .0010 -1 -1 2
6.1805 6.1774 .0030 1 1 2
6.0203 6.0071 .0132 -2 0 1
5.8105 5.8140 -.0035 -1 -1 3
5.5003 5.5012 -.0010 -2 -1 1
5.2005 5.1998 .0007 1 0 4
4.7005 4.7011 -.0007 2 -1 2
4.4503 4.4501 .0002 -1 -2 2
4.1004 4.1020 -.0016 -3 0 1
4.0102 4.0106 -.0004 1 2 2
3.6503 3.6504 -.0002 1 2 3
3.3503 3.3502 .0001 3 2 0
A= 12.7389 DA= .0003
B= 9.4543 DB= .0004
C= 22.73153 DC= .00001
GAMMA= 82.275 DGAMMA= .002
BETA = 88.973 DBETA = .005
ALPHA= 99.332 DALPHA= .001
V=2677
7. 24-1819
C10H24Br2N4Ni
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
8.3006 8.3679 -.0673 1 1 0
7.1006 7.0810 .0196 2 0 0
7.0507 7.0810 -.0303 2 0 0
5.8503 5.8481 .0022 2 1 0
5.2105 5.1861 .0244 0 2 0
5.0103 5.0341 -.0238 0 0 1
4.7503 4.7433 .0070 1 0 1
4.5403 4.5289 .0114 0 1 1
4.2904 4.2966 -.0062 3 1 0
3.5503 3.5405 .0098 4 0 0
3.3502 3.3507 -.0005 4 1 0
2.9202 2.9241 -.0039 4 2 0
a=14.162 b=10.372 c= 5.034
da= .004 db= .002 dc= .006
v= 739.5
Triklin
Dexp Dcal d(D) h k l
8.3006 8.2935 .0072 1 0 0
7.1006 7.1019 -.0013 -1 1 0
7.0507 7.0519 -.0012 0 0 1
5.8503 5.8530 -.0027 1 1 0
5.2105 5.2102 .0003 0 -1 1
5.0103 5.0076 .0027 0 2 0
4.7503 4.7517 -.0014 1 1 1
4.5403 4.5434 -.0031 1 -1 1
4.2904 4.2911 -.0007 -1 -1 1
3.5503 3.5510 -.0007 -2 2 0
3.3502 3.3496 .0006 2 -1 1
2.9202 2.9201 .0001 1 -1 2
A= 8.500 DA= .001
B= 10.556 DB= .007
C= 7.300 DC= .002
GAMMA=102.31 DGAMMA= .03
BETA = 95.89 DBETA = .01
ALPHA= 75.30 DALPHA= .03
V= 618.2
8. 24-1820
C10H24Br2N4Ni
Rombik
Groupa 19
Dexp. Dcal. d(D) h k l
9.5007 9.4757 .0250 1 0 1
7.2005 7.1883 .0122 1 1 0
7.0006 6.9872 .0134 0 1 1
6.2003 6.1842 .0162 2 0 1
5.8003 5.8185 -.0182 1 0 2
5.4003 5.3945 .0058 2 1 0
5.0903 5.0712 .0191 0 1 2
4.9504 4.9692 -.0188 2 1 1
4.7803 4.7734 .0069 1 1 2
4.1203 4.1205 -.0002 2 1 2
3.9102 3.9069 .0034 3 1 1
3.8203 3.8198 .0005 1 2 1
3.3402 3.3414 -.0012 2 1 3
3.1302 3.1319 -.0017 2 2 2
a=14.14 b= 8.35 c=12.768
da= .01 db= .01 dc= .007
v=1506
Triklin
Dexp Dcal d(D) h k l
9.5007 9.5470 -.0463 0 1 0
7.2005 7.2252 -.0247 1 1 0
7.0006 6.9889 .0117 -1 0 1
6.2003 6.1923 .0080 0 1 1
5.8003 5.8043 -.0040 2 0 0
5.4003 5.4057 -.0054 -1 -1 1
5.0903 5.0854 .0049 -2 0 1
4.9504 4.9489 .0014 1 -1 1
4.7803 4.7735 .0068 0 2 0
4.1203 4.1237 -.0034 -1 2 1
3.9102 3.9095 .0007 2 1 1
3.8203 3.8213 -.0010 0 0 2
3.3402 3.3402 .0001 -2 -2 1
3.1302 3.1300 .0003 -1 2 2
A= 11.821 DA= .001
B= 9.588 DB= .001
C= 7.797 DC= .001
GAMMA= 93.25 DGAMMA= .03
BETA =100.62 DBETA = .03
ALPHA= 85.274 DALPHA= .006
V= 864.9
9. 24-1821
C10H24Cl2N4Ni
TRriklin
Dexp Dcal d(D) h k l
9.8007 9.8025 -.0018 1 0 0
7.4005 7.4011 -.0006 1 1 0
6.8004 6.7984 .0020 1 0 1
6.6403 6.6405 -.0002 0 -1 1
6.3606 6.3600 .0005 -1 -1 1
6.0204 6.0210 -.0006 0 0 2
5.6204 5.6203 .0001 0 1 2
4.0303 4.0303 .0000 -2 1 0
3.2402 3.2402 .0000 -3 0 2
A= 10.231 DA= .0004
B= 9.481 DB= .001
C= 12.66 DC= .01
GAMMA= 82.33 DGAMMA= .01
BETA =103.05 DBETA = .03
ALPHA= 79.75 DALPHA= .03
V= 1157.7
10. 24-1822
C10H24Cl2N4NiO8
Triklin
Dexp Dcal d(D) h k l
8.1006 8.0933 .0073 0 1 0
7.2005 7.2072 -.0068 1 0 0
6.3006 6.3025 -.0019 0 -1 2
6.0605 6.0598 .0007 1 0 2
5.4003 5.4011 -.0008 -1 -1 2
5.0204 5.0194 .0011 0 -1 3
4.4203 4.4202 .0000 -1 -1 3
4.2103 4.2098 .0005 -1 1 1
3.8603 3.8606 -.0003 0 2 1
3.4602 3.4601 .0001 -2 -2 1
3.1302 3.1302 .0000 0 1 5
A= 8.063 DA= .001
B= 8.9955 DB= .0008
C= 17.9355 DC= .0002
GAMMA= 64.748 DGAMMA= .002
BETA = 83.09 DBETA = .01
ALPHA= 92.30 DALPHA= .01
V= 1161.9
11. 24-1823
C12H24N6NiS2
Triklin
Dexp Dcal d(D) h k l
9.2004 9.2208 -.0204 0 0 1
7.9003 7.8873 .0130 1 0 0
6.8004 6.8043 -.0039 0 -2 1
6.2003 6.1986 .0017 1 -2 1
5.6903 5.6905 -.0002 -1 2 0
5.1304 5.1303 .0001 0 -3 1
5.0703 5.0683 .0019 1 -1 2
4.9504 4.9498 .0006 1 0 2
4.6103 4.6104 -.0001 0 0 2
3.8703 3.8710 -.0007 2 0 2
3.2902 3.2901 .0001 1 3 2
3.1302 3.1303 -.0001 2 -4 1
A= 8.68134 DA= .00005
B= 16.6149 DB= .0007
C= 10.365 DC= .001
GAMMA= 96.32 DGAMMA= .01
BETA = 65.324 DBETA = .005
ALPHA=103.29 DALPHA= .01
V=1321.6
12. 24-1824
C12H24N6NiS2
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
9.7011 9.7285 -.0274 1 0 1
7.4005 7.4043 -.0038 1 1 0
7.0006 7.0180 -.0174 0 1 1
6.8004 6.8046 -.0042 1 1 1
6.1004 6.1689 -.0685 2 0 1
5.8905 5.8888 .0017 2 0 0
5.4705 5.4694 .0010 -1 1 1
5.1604 5.1772 -.0168 2 1 1
4.7603 4.7606 -.0004 0 2 0
3.9203 3.9259 -.0056 3 0 0
3.5102 3.5090 .0012 0 2 2
2.9902 2.9882 .0020 4 1 1
a= 12.63 b= 9.52 c= 11.139 beta= 68.78
da= .02 db=.01 dc=.009 dbeta=.07
V= 1249
Triklin
Dexp Dcal d(D) h k l
9.7011 9.6993 .0018 1 0 0
7.4005 7.3839 .0166 -1 1 1
7.0006 7.0046 -.0040 -1 -1 1
6.8004 6.7987 .0018 -1 1 0
6.1004 6.1033 -.0029 0 2 0
5.8905 5.8836 .0069 1 2 0
5.4705 5.4666 .0039 1 0 1
5.1604 5.1592 .0012 -2 -1 1
4.7603 4.7610 -.0007 -2 1 1
3.9203 3.9210 -.0007 1 3 1
3.5102 3.5104 -.0002 1 0 2
2.9902 2.9902 .0000 0 0 3
A= 10.992 DA= .004
B= 12.89 DB= .01
C= 10.2767 DC= .0005
GAMMA= 81.75 DGAMMA= .02
BETA =114.17 DBETA = .02
ALPHA= 78.239 DALPHA= .001
V= 1258.0
13. 24-1825
C10H24I2N4Ni
Monoklin
GRUPA 3
Dexp. Dcal. d(D) h k l
7.7006 7.7012 -.0006 1 1 1
5.1804 5.1830 -.0026 1 0 2
4.8202 4.8199 .0003 0 0 2
4.6004 4.5993 .0011 2 2 1
4.2604 4.2604 -.0001 3 1 1
4.0002 4.0000 .0003 3 1 0
3.7403 3.7398 .0005 -2 2 1
3.6303 3.6303 .0000 -1 3 1
3.1202 3.1202 .0000 0 1 3
a= 13.557 b= 13.060 c= 10.367 beta= 68.40
da=.008 db=.001 dc=2.093 dbet=.01
V=1706.8
14. 24-1826
C16H20Cl2N8NiO2S2
Triklin
Dexp Dcal d(D) h k l
13.3017 13.2170 .0847 0 1 0
8.2404 8.2201 .0204 0 -1 2
7.2903 7.2985 -.0081 1 0 0
6.9606 6.9831 -.0225 1 0 1
6.7604 6.7688 -.0085 -1 1 0
6.2706 6.2652 .0054 -1 0 1
6.0704 6.0668 .0036 1 1 0
5.7103 5.7093 .0010 1 0 2
5.3504 5.3518 -.0013 0 2 1
4.4102 4.4057 .0045 0 3 0
4.2504 4.2498 .0005 0 2 2
4.0503 4.0526 -.0023 -1 -1 3
A= 7.52685 DA= .00006
B= 14.704 DB= .004
C= 17.154 DC= .002
GAMMA=101.702 DGAMMA= .007
BETA = 77.91 DBETA = .08
ALPHA=114.99 DALPHA= .03
V=1668.6
15. 24-1827
C33H31Cl2NNiP2
Triklin
Dexp Dcal d(D) h k l
9.9810 9.9762 .0048 1 0 0
7.7304 7.7255 .0050 1 1 0
7.2104 7.2189 -.0085 0 0 1
6.4405 6.4395 .0010 0 -1 1
5.4303 5.4360 -.0057 0 1 1
5.0405 5.0536 -.0132 0 2 0
4.5403 4.5446 -.0043 2 0 1
4.3803 4.3664 .0139 -1 1 1
4.1004 4.0993 .0010 2 -1 1
3.8302 3.8328 -.0026 0 2 1
3.7703 3.7704 -.0001 -2 0 1
3.6303 3.6311 -.0008 1 0 2
A= 10.256 DA= .005
B= 10.351 DB= .001
C= 7.450 DC= .002
GAMMA= 82.840 DGAMMA= .006
BETA = 79.95 DBETA = .02
ALPHA= 98.72 DALPHA= .02
V= 760.4
16. 24-1828
C16H18N12NiS2
Triklin
Dexp Dcal d(D) h k l
7.8505 7.8510 -.0005 1 0 0
7.2505 7.2481 .0024 0 1 0
6.8805 6.8813 -.0009 1 0 1
6.7406 6.7402 .0004 0 0 2
6.2804 6.2816 -.0012 1 1 0
5.1704 5.1702 .0002 0 1 2
4.3903 4.3901 .0002 1 -1 1
3.9503 3.9498 .0005 2 1 0
3.7102 3.7104 -.0002 -2 -1 1
3.5803 3.5804 -.0001 0 2 1
A= 8.198 DA= .001
B= 7.5946 DB= .0006
C= 13.558 DC= .005
GAMMA= 73.371 DGAMMA= .005
BETA = 86.57 DBETA = .02
ALPHA= 84.15 DALPHA= .01
V= 804.2
17. 24-1829
C15H22Br2ONi
Triklin
Dexp Dcal d(D) h k l
10.7011 10.6912 .0099 1 0 0
9.0909 9.0972 -.0063 0 1 0
8.4509 8.4916 -.0407 0 0 1
7.9203 7.9340 -.0136 -1 0 1
6.9907 7.0096 -.0189 0 1 1
6.6707 6.6611 .0096 -1 1 1
5.8503 5.8373 .0130 1 0 1
5.3404 5.3456 -.0052 2 0 0
3.9302 3.9294 .0008 -2 1 2
3.6903 3.6911 -.0008 0 -2 1
3.6503 3.6495 .0008 -1 -2 1
3.4502 3.4504 -.0001 -2 2 0
A= 11.2499 DA= .0006
B= 9.336 DB= .003
C= 9.15 DC= .02
GAMMA= 93.58 DGAMMA= .05
BETA =108.14 DBETA = .09
ALPHA= 77.03 DALPHA= .06
V= 890.1
18. 24-1830
C14H18Br2N4Ni
Monoklin
Grupa 3
Dexp Dcal d(D) h k l
7.7907 7.7687 .0220 0 0 2
6.3504 6.3349 .0155 1 1 1
6.1804 6.1794 .0010 0 2 0
5.1905 5.1791 .0114 0 0 3
6.9265 6.9547 -.0282 1 1 0
3.9702 3.9693 .0009 0 2 3
3.8803 3.8843 -.0041 0 0 4
3.7102 3.7094 .0008 -2 0 2
3.6003 3.5969 .0034 -1 2 3
3.4803 3.4773 .0030 2 2 0
3.3902 3.3895 .0008 2 2 1
3.1802 3.1804 -.0002 -2 2 2
a= 8.41 b= 12.36 c= 15.538 beta= 90.37
da=.01 db=.02 dc=.003 dbeta=.09
V= 1616
Triklin
Dexp Dcal d(D) h k l
7.7907 7.7979 -.0073 1 0 0
6.3504 6.3517 -.0013 -1 1 0
6.1804 6.1789 .0015 -1 0 1
5.1905 5.1905 -.0000 0 2 1
6.9265 6.9302 -.0037 0 1 1
3.9702 3.9698 .0004 0 -1 2
3.8803 3.8804 -.0001 -1 -1 2
3.7102 3.7101 .0001 -1 3 0
3.6003 3.6002 .0000 -2 -2 1
3.4803 3.4805 -.0002 -2 1 1
3.3902 3.3902 .0001 1 4 0
3.1802 3.1804 -.0001 -1 -3 2
A= 8.037 DA= .004
B= 14.11 DB= .03
C= 8.3218 DC= .0003
GAMMA= 79.68 DGAMMA= .07
BETA =100.06 DBETA = .03
ALPHA= 94.03 DALPHA= .05
V= 913.5
19. 24-1831
C28H36Cl4NbNi2O8
Triklin
Dexp Dcal d(D) h k l
11.0007 11.0220 -.0213 1 0 0
8.5710 8.5735 -.0026 -1 1 0
8.1608 8.1654 -.0046 0 0 1
7.6703 7.6669 .0034 -1 0 1
6.7706 6.7590 .0117 0 1 1
6.0506 6.0512 -.0007 -2 1 1
5.9005 5.9054 -.0049 1 1 0
5.4305 5.4294 .0011 0 -1 1
5.3104 5.3083 .0021 -2 0 1
4.5103 4.5116 -.0013 -1 1 2
4.0704 4.0703 .0001 2 0 1
A= 12.889 DA= .003
B= 10.1206 DB= .0008
C= 9.1028 DC= .0006
GAMMA=117.04 DGAMMA= .04
BETA =113.26 DBETA = .01
ALPHA= 69.13 DALPHA= .01
V= 948.7
20. 24-1832
C14H18I2N4Ni
Triklin
Dexp Dcal d(D) h k l
7.9003 7.9057 -.0054 0 1 1
6.4905 6.4825 .0080 0 -1 1
5.3004 5.3092 -.0088 1 1 0
4.2904 4.2889 .0014 1 -1 1
4.2402 4.2434 -.0031 0 -2 1
4.0403 4.0386 .0018 1 2 0
3.7803 3.7808 -.0005 -1 0 2
3.6903 3.6899 .0004 -1 1 2
3.5503 3.5496 .0007 -1 -2 1
3.4602 3.4602 .0001 0 3 0
2.9102 2.9102 .0000 2 1 0
2.8302 2.8302 .0000 1 0 3
A= 5.966 DA= .002
B= 10.606 DB= .004
C= 9.897 DC= .001
GAMMA= 86.50 DGAMMA= .04
BETA = 89.90 DBETA = .01
ALPHA= 78.696 DALPHA= .001
V= 612.9
21. 24-1833
C15H20N6NiO6
Rombik
Groupa 17
Dexp. Dcal. d(D) h k l
7.5608 7.5898 -.0290 0 1 0
7.5608 7.4948 .0660 2 0 1
7.2403 7.2413 -.0010 0 0 2
6.7406 6.7226 .0180 0 1 1
6.3206 6.2763 .0443 1 1 1
5.6005 5.5810 .0195 2 0 2
5.4404 5.4156 .0248 3 0 1
4.1903 4.1920 -.0017 4 0 1
3.8903 3.8996 -.0093 3 1 2
3.8003 3.7949 .0054 0 2 0
3.6203 3.6207 -.0003 0 0 4
3.5902 3.5929 -.0027 1 2 1
3.4803 3.4821 -.0018 2 2 0
a=17.52 b= 7.590 c=14.483
da= .03 db= .001 dc= .006
V=1926
Triklin
Dexp Dcal d(D) h k l
7.5608 7.5609 -.0001 1 0 0
7.2403 7.2418 -.0014 -1 1 0
6.7406 6.7373 .0033 -1 0 1
6.3206 6.3254 -.0048 0 -1 1
5.6005 5.5997 .0008 1 1 0
5.4404 5.4400 .0004 -1 -1 1
4.1903 4.1933 -.0030 0 2 1
3.8903 3.8898 .0005 1 -2 1
3.8003 3.7992 .0011 1 1 1
3.6203 3.6209 -.0006 -2 2 0
3.5902 3.5904 -.0001 -2 -1 1
3.4803 3.4795 .0008 -1 3 1
A= 8.554 DA= .005
B= 11.625 DB= .006
C= 7.813 DC= .001
GAMMA=104.57 DGAMMA= .03
BETA =113.33 DBETA = .02
ALPHA= 89.67 DALPHA= .03
V= 686.7
22. 24-1834
C14H18N6NiO6
Triklin
Dexp Dcal d(D) h k l
9.9311 9.9119 .0192 1 0 0
8.6609 8.6552 .0057 0 1 0
7.4005 7.4195 -.0189 0 1 1
7.0206 7.0248 -.0043 -1 1 1
6.5804 6.5837 -.0033 1 0 1
6.0704 6.0679 .0025 1 1 0
5.3605 5.3619 -.0014 -1 -1 1
5.0103 5.0081 .0022 0 1 2
4.1502 4.1503 -.0001 2 0 1
3.7303 3.7300 .0002 -2 2 1
A= 10.4332 DA= .0007
B= 8.977 DB= .003
C= 11.48 DC= .01
GAMMA=101.879 DGAMMA= .006
BETA =105.900 DBETA = .003
ALPHA= 77.47 DALPHA= .06
V= 997.4
23. 24-1835
C14H18Cl2N4Ni*0.5H2O
Triklin
Dexp Dcal d(D) h k l
11.7013 11.7302 -.0290 1 0 0
9.0605 9.0402 .0203 0 1 0
7.8708 7.8699 .0010 0 1 1
7.7306 7.7311 -.0006 1 1 0
6.8805 6.8819 -.0014 -1 0 1
6.2804 6.2762 .0042 0 -1 1
6.0904 6.0895 .0008 2 0 1
5.1905 5.1906 -.0001 0 1 2
3.6703 3.6708 -.0005 1 -2 1
3.3502 3.3500 .0002 -2 2 0
A= 12.84911 DA= .00003
B= 9.569 DB= .002
C= 12.0430 DC= .0002
GAMMA= 75.91 DGAMMA= .01
BETA = 67.366 DBETA = .008
ALPHA= 72.78 DALPHA= .02
V= 1291.1
24. 24-1836
C17H20N6NiS2
Triklin
Dexp Dcal d(D) h k l
7.8107 7.8102 .0005 1 0 0
7.3406 7.3376 .0030 -1 1 0
7.0206 7.0202 .0004 0 0 1
6.5804 6.5761 .0042 1 -1 1
6.3703 6.3716 -.0013 0 -1 1
6.0005 6.0035 -.0029 0 1 1
5.4504 5.4495 .0009 1 1 1
4.3403 4.3404 -.0002 0 3 0
3.9803 3.9808 -.0006 2 -2 1
3.9503 3.9517 -.0015 -2 1 0
A= 8.7234 DA= .0003
B= 13.433 DB= .005
C= 7.719 DC= .001
GAMMA=103.65 DGAMMA= .06
BETA = 65.755 DBETA = .005
ALPHA= 99.21 DALPHA= .04
V= 799.4
25. 24-1839
C39H45N9NiO5S2
Triklin
Dexp Dcal d(D) h k l
12.4008 12.3810 .0198 1 0 0
11.0007 10.9903 .0104 0 1 0
10.3004 10.3103 -.0100 0 0 1
9.4004 9.3579 .0425 -1 0 1
8.9304 8.9682 -.0378 1 1 0
8.4204 8.4377 -.0173 -1 1 1
7.6209 7.6311 -.0103 -1 1 0
6.2302 6.2368 -.0066 0 -1 1
5.5003 5.4951 .0051 0 2 0
4.8203 4.8202 .0001 1 1 2
4.7403 4.7392 .0011 2 0 1
A= 12.9367 DA= .0009
B= 12.3460 DB= .0001
C= 11.9363 DC= .0003
GAMMA= 87.969 DGAMMA= .006
BETA =104.142 DBETA = .005
ALPHA= 64.424 DALPHA= .001
V=1645.7
26. 24-1842
C20H23N3NiO4
Triklin
Dexp Dcal d(D) h k l
14.7010 14.6934 .0076 0 0 1
12.6016 12.5970 .0046 1 0 0
11.2003 11.1932 .0071 -1 1 0
10.3003 10.3051 -.0048 -1 0 1
7.2504 7.2408 .0096 0 -1 2
6.3306 6.3323 -.0017 -1 -1 2
5.9104 5.9124 -.0020 1 2 0
5.3903 5.3907 -.0004 -2 -1 1
5.2803 5.2807 -.0003 2 -2 1
5.1004 5.0985 .0019 1 1 2
4.8003 4.7997 .0006 -2 -1 2
4.5304 4.5303 .0001 0 3 1
3.6203 3.6204 -.0001 0 -2 4
3.5203 3.5202 .0001 1 -1 4
3.4002 3.4005 -.0003 1 0 4
A= 13.0672 DA= .0004
B= 16.0604 DB= .0005
C= 15.092 DC= .002
GAMMA=103.187 DGAMMA= .009
BETA = 95.339 DBETA = .009
ALPHA=100.492 DALPHA= .006
V=3002.9