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Information card for entry 4500558
Preview
| Coordinates | 4500558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | anderson |
|---|---|
| Formula | C24 H20 Cr Mo6 N4 Na O34 |
| Calculated formula | C24 H20 Cr Mo6 N4 Na O34 |
| SMILES | C(=O)(c1cccnc1)O[Na]OC(=O)c1cccnc1.C(=O)(c1c[nH+]ccc1)O.[Cr]12345[O]6[Mo]78(=O)(=O)O[Mo]9(=O)(=O)(O[Mo]%10(=O)(=O)(O[Mo]%11(=O)(=O)(O[Mo]%12(=O)(=O)(O[Mo]6(=O)(=O)(O7)[O]2%12)[O]4%11)[O]1%10)[O]39)[O]58.O.C(=O)(c1ccc[nH+]c1)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 | 22.084 ± 0.003 Å |
| b | 9.4366 ± 0.0011 Å |
| c | 21.011 ± 0.003 Å |
| α | 90° |
| β | 98.517 ± 0.002° |
| γ | 90° |
| Cell volume | 4330.4 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4500558.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500558.cif |
| 34548 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500555, 4500556, 4500557, 4500558, 4500559, 4500560 via cif-deposit CGI script. |
4500558.cif |
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Users of the data should acknowledge the original authors of the
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