Information card for entry 2207625
Chemical name |
Bis(triethanolamine-κ^3^N,O,O')nickel(II) benzene-1,4-dicarboxylate |
Formula |
C20 H34 N2 Ni O10 |
Calculated formula |
C20 H34 N2 Ni O10 |
SMILES |
C1C[OH][Ni]234([N]1(CC[OH]3)CCO)[N](CC[OH]2)(CC[OH]4)CCO.c1c(C(=O)[O-])ccc(c1)C(=O)[O-] |
Title of publication |
Bis(triethanolamine-κ^3^<i>N</i>,<i>O</i>,<i>O</i>')nickel(II) benzene-1,4-dicarboxylate |
Authors of publication |
Haukka, Matti; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Pombeiro, Armando J.L. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
12 |
Pages of publication |
m2746 - m2748 |
a |
7.891 ± 0.0002 Å |
b |
8.6355 ± 0.0002 Å |
c |
9.2002 ± 0.0003 Å |
α |
89.42 ± 0.001° |
β |
72.741 ± 0.001° |
γ |
66.316 ± 0.001° |
Cell volume |
543.99 ± 0.03 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.03 |
Residual factor for significantly intense reflections |
0.0267 |
Weighted residual factors for significantly intense reflections |
0.0643 |
Weighted residual factors for all reflections included in the refinement |
0.0657 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.075 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2207625.html