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Information card for entry 2217157
Preview
Coordinates | 2217157.cif |
---|---|
Structure factors | 2217157.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[μ-4-amino-3,5-bis(hydroxymethyl)-1,2,4-triazole]bis{bis[4-amino-3,5- bis(hydroxymethyl)-1,2,4-triazole]nickel(II)} tetranitrate methanol disolvate |
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Formula | C26 H56 N28 Ni2 O26 |
Calculated formula | C26 H56 N28 Ni2 O26 |
SMILES | C(O)c1[n]([Ni]234([n]5nc(CO)n(c5C[OH]2)N)[OH]Cc2[n]3[n](c(CO)n2N)[Ni]23([n]5c(CO)n(c(CO)n5)N)([n]5c(C[OH]2)n(c(CO)[n]45)N)[n]2c(C[OH]3)n(c(CO)n2)N)nc(CO)n1N.O=N(=O)[O-].CO.N(=O)(=O)[O-].O=N(=O)[O-].CO.N(=O)(=O)[O-] |
Title of publication | Bis[μ-4-amino-3,5-bis(hydroxymethyl)-1,2,4-triazole]bis{bis[4-amino-3,5-bis(hydroxymethyl)-1,2,4-triazole]nickel(II)} tetranitrate methanol disolvate |
Authors of publication | Yu-Peng Pan; Da-Cheng Li; Da-Qi Wang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 1 |
Pages of publication | m96 - m97 |
a | 12.5126 ± 0.0017 Å |
b | 13.2808 ± 0.0018 Å |
c | 16.153 ± 0.002 Å |
α | 90° |
β | 92.699 ± 0.002° |
γ | 90° |
Cell volume | 2681.3 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1072 |
Residual factor for significantly intense reflections | 0.0649 |
Weighted residual factors for significantly intense reflections | 0.1699 |
Weighted residual factors for all reflections included in the refinement | 0.1881 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2217157.html
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