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Information card for entry 4342859
Preview
| Coordinates | 4342859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H48 Cr N6 O2 |
|---|---|
| Calculated formula | C38 H48 Cr N6 O2 |
| SMILES | c12[n]([Cr]345([N](c6cc(cc(c6O3)C(C)(C)C)C(C)(C)C)=N1)[n]1ccccc1N=[N]4c1cc(cc(c1O5)C(C)(C)C)C(C)(C)C)cccc2 |
| Title of publication | Octacoordinated Dioxo-Molybdenum Complex via Formal Oxidative Addition of Molecular Oxygen. Studies of Chemical Reactions Between M(CO)6 (M = Cr, Mo) and 2,4-Di-tert-butyl-6-(pyridin-2-ylazo)-phenol. |
| Authors of publication | Chatterjee, Ipsita; Saha Chowdhury, Nabanita; Ghosh, Pradip; Goswami, Sreebrata |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 11 |
| Pages of publication | 5257 - 5265 |
| a | 18.21 ± 0.003 Å |
| b | 15.258 ± 0.002 Å |
| c | 17.196 ± 0.003 Å |
| α | 90° |
| β | 113.908 ± 0.004° |
| γ | 90° |
| Cell volume | 4367.9 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0461 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4342859.cif |
| 138169 | 2015-06-05 | cif/ Updating files of 4342858, 4342859, 4342860 Original log message: Adding full bibliography for 4342858--4342860.cif. |
4342859.cif |
| 136609 | 2015-05-16 | cif/ Adding structures of 4342858, 4342859, 4342860 via cif-deposit CGI script. |
4342859.cif |
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Users of the data should acknowledge the original authors of the
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