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Information card for entry 7055091
Preview
| Coordinates | 7055091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H34 Cl6 Mo2 N8 O6 S4 |
|---|---|
| Calculated formula | C42 H34 Cl6 Mo2 N8 O6 S4 |
| Title of publication | Supramolecular frameworks of binuclear dioxomolybdenum(vi) complexes with ONS donor ligands using 4,4′-azopyridine as a pillar: crystal structure, DFT calculations and biological study |
| Authors of publication | Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Mitra, Payel; Acharya, Krishnendu; Biswas, Sujan; Mondal, Tapan Kumar |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 11 |
| Pages of publication | 8681 |
| a | 10.827 ± 0.018 Å |
| b | 11.07 ± 0.018 Å |
| c | 12.58 ± 0.02 Å |
| α | 65.78 ± 0.017° |
| β | 73.533 ± 0.017° |
| γ | 65.932 ± 0.017° |
| Cell volume | 1243 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1394 |
| Residual factor for significantly intense reflections | 0.0838 |
| Weighted residual factors for significantly intense reflections | 0.2067 |
| Weighted residual factors for all reflections included in the refinement | 0.242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7055091.cif |
| 171314 | 2015-12-09 | cif/ Updating files of 7055090, 7055091, 7055092 Original log message: Adding full bibliography for 7055090--7055092.cif. |
7055091.cif |
| 155192 | 2015-09-08 | cif/ Adding structures of 7055090, 7055091, 7055092 via cif-deposit CGI script. |
7055091.cif |
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Users of the data should acknowledge the original authors of the
structural data.