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Information card for entry 2233763
Preview
Coordinates | 2233763.cif |
---|---|
Structure factors | 2233763.hkl |
Original IUCr paper | HTML |
Chemical name | Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidotungstate(V) |
---|---|
Formula | C48 H40 N16 O12 Tb W |
Calculated formula | C48 H40 N16 O12 Tb W |
SMILES | C(#N)[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.c1cc(ccn1=[O][Tb]([OH2])([OH2])([OH2])([OH2])([O]=n1ccc(cc1)c1ccn(=O)cc1)([O]=n1ccc(cc1)c1ccn(=O)cc1)[O]=n1ccc(cc1)c1ccn(=O)cc1)c1ccn(cc1)=O |
Title of publication | Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidotungstate(V) |
Authors of publication | Shi, Yu-Sheng; Ran, Mao-Qian; Chen, Ying-Ying; Yuan, Ai-Hua |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | m288 |
a | 17.9222 ± 0.0007 Å |
b | 17.9222 ± 0.0007 Å |
c | 7.8915 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2534.8 ± 0.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 85 |
Hermann-Mauguin space group symbol | P 4/n :2 |
Hall space group symbol | -P 4a |
Residual factor for all reflections | 0.0158 |
Residual factor for significantly intense reflections | 0.0138 |
Weighted residual factors for significantly intense reflections | 0.036 |
Weighted residual factors for all reflections included in the refinement | 0.037 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/2233763.html
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