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Information card for entry 2207757
Preview
Coordinates | 2207757.cif |
---|---|
Structure factors | 2207757.hkl |
Original IUCr paper | HTML |
Common name | none |
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Chemical name | Hexaaquadodeca-μ-chloro-hexaniobium(II,III) dichloride 2,2'-bipyridine trisolvate |
Formula | C30 H36 Cl14 N6 Nb6 O6 |
Calculated formula | C30 H36 Cl14 N6 Nb6 O6 |
SMILES | c1(ccccn1)c1ccccn1.c1(ccccn1)c1ncccc1.[OH2][Nb]123[Cl][Nb]45([OH2])[Cl][Nb]67([OH2])[Cl][Nb]([OH2])([Cl]1)([Cl][Nb]([OH2])([Cl]2)([Cl]6)[Cl]4)[Cl][Nb]([OH2])([Cl]7)([Cl]5)[Cl]3.[Cl-].c1(ccccn1)c1ncccc1.[Cl-] |
Title of publication | Hexaaquadodeca-μ-chloro-hexaniobium(II,III) dichloride 2,2'-bipyridine trisolvate |
Authors of publication | Maria S. Tarasenko; Alexander V. Virovets; Nikolai G. Naumov; Vladimir E. Fedorov |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 1 |
Pages of publication | m175 - m178 |
a | 10.1546 ± 0.0012 Å |
b | 11.2503 ± 0.0015 Å |
c | 12.2583 ± 0.0011 Å |
α | 74.822 ± 0.004° |
β | 74.551 ± 0.004° |
γ | 70.901 ± 0.004° |
Cell volume | 1251.8 ± 0.3 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.057 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0833 |
Weighted residual factors for all reflections included in the refinement | 0.0939 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/2207757.html
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