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Information card for entry 2108603
Preview
| Coordinates | 2108603.cif |
|---|---|
| Structure factors | 2108603.hkl |
| Original paper (by DOI) | HTML |
| Formula | C23 H24.4 Cl N2 O3 Re |
|---|---|
| Calculated formula | C23 H24.4 Cl N2 O3 Re |
| Title of publication | Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies |
| Authors of publication | Kia, Reza; Kalaghchi, Azadeh |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 3 |
| a | 8.2294 ± 0.0004 Å |
| b | 36.355 ± 0.002 Å |
| c | 8.1035 ± 0.0007 Å |
| α | 90° |
| β | 105.614 ± 0.007° |
| γ | 90° |
| Cell volume | 2334.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.451 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252090 (current) | 2020-05-16 | cif/ hkl/ Adding structures of 2108602, 2108603, 2108604, 2108605 via cif-deposit CGI script. |
2108603.cif 2108603.hkl |
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Users of the data should acknowledge the original authors of the
structural data.