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Information card for entry 4500556
Preview
Coordinates | 4500556.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | anderson |
---|---|
Formula | C24 H20 Cr Mo6 N4 Ni O48 |
Calculated formula | C24 H20 Cr Mo6 N4 Ni O48 |
SMILES | C(=O)(c1cc[nH+]cc1)O.O1[Mo]23(=O)(=O)O[Mo]45(=O)([O]6[Cr]789([O]%10[Mo]%11(O[Mo]6%10(=O)(O4)=O)(=O)(=O)O[Mo]4(=O)(=O)(O[Mo]1(=O)(=O)([O]27)[O]84)[O]9%11)[O]35)=O.[Ni]([OH2])(OC(=O)c1ccncc1)(OC(=O)c1ccncc1)([OH2])([OH2])[OH2].O.O.O.O.O.O.C(=O)(c1cc[nH+]cc1)O.O.O.O.O.O.O |
Title of publication | Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers |
Authors of publication | Singh, Monika; Ramanan, Arunachalam |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 8 |
Pages of publication | 3381 |
a | 10.5998 ± 0.0012 Å |
b | 11.8436 ± 0.0014 Å |
c | 13.1423 ± 0.0016 Å |
α | 102.363 ± 0.002° |
β | 111.815 ± 0.003° |
γ | 107.759 ± 0.002° |
Cell volume | 1355 ± 0.3 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 | 0.0769 |
Residual factor for significantly intense reflections | 0.0647 |
Weighted residual factors for significantly intense reflections | 0.1314 |
Weighted residual factors for all reflections included in the refinement | 0.1383 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/4500556.html
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