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Information card for entry 4326896
Preview
Coordinates | 4326896.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H71 Mo4 N17 O37 P4 |
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Calculated formula | C20 H66 Mo4 N20 O32 P4 |
SMILES | P1(=O)(O[Mo]23(O[Mo]456(=O)(O[Mo]784(O[Mo]49(=O)(=O)[O]7C(Cc7cnccc7)(P(=O)(O4)O8)P(=O)(O9)O)(=O)O5)[O]2C1(Cc1cnccc1)P(=O)(O3)O6)(=O)=O)O.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O.O.O.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O.O.O.O |
Title of publication | Polyoxomolybdodiphosphonates: Examples Incorporating Ethylidenepyridines |
Authors of publication | Abhishek Banerjee; Farah S. Raad; Nina Vankova; Bassem S. Bassil; Thomas Heine; Ulrich Kortz |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11667 - 11675 |
a | 18.216 ± 0.003 Å |
b | 10.638 ± 0.003 Å |
c | 28.07 ± 0.006 Å |
α | 90° |
β | 90.605 ± 0.014° |
γ | 90° |
Cell volume | 5439 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0275 |
Residual factor for significantly intense reflections | 0.0238 |
Weighted residual factors for significantly intense reflections | 0.0642 |
Weighted residual factors for all reflections included in the refinement | 0.0668 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4326896.html
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Users of the data should acknowledge the original authors of the
structural data.