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Information card for entry 2210645
Preview
Coordinates | 2210645.cif |
---|---|
Structure factors | 2210645.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[(4-nitrobenzyl)tripenylphosphinium] bis(maleonitriledithiolato)nickel(II) dihydrate |
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Formula | C58 H46 N6 Ni O6 P2 S4 |
Calculated formula | C58 H46 N6 Ni O6 P2 S4 |
SMILES | c1c(ccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N(=O)=O.O.[Ni]12(SC(=C(C#N)S1)C#N)SC(=C(C#N)S2)C#N.c1cc(ccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N(=O)=O.O |
Title of publication | Bis[(4-nitrobenzyl)triphenylphosphinium]bis(maleonitriledithiolato)nickelate(II) dihydrate |
Authors of publication | Ming-Guo Liu; Chun-Lin Ni |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 10 |
Pages of publication | m2445 - m2447 |
a | 10.931 ± 0.003 Å |
b | 10.962 ± 0.003 Å |
c | 12.044 ± 0.003 Å |
α | 82.94 ± 0.001° |
β | 82.7 ± 0.001° |
γ | 84.42 ± 0.001° |
Cell volume | 1415.7 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.124 |
Weighted residual factors for all reflections included in the refinement | 0.1271 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/2210645.html
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Users of the data should acknowledge the original authors of the
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