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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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179536 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/05. |
4500556.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500556.cif |
| 34548 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500555, 4500556, 4500557, 4500558, 4500559, 4500560 via cif-deposit CGI script. |
4500556.cif |
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Users of the data should acknowledge the original authors of the
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