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Information card for entry 1565069
Preview
| Coordinates | 1565069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H96 Al2 Mn N4 O5 |
|---|---|
| Calculated formula | C76 H96 Al2 Mn N4 O5 |
| Title of publication | Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation |
| Authors of publication | Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 16.8912 ± 0.0005 Å |
| b | 20.7695 ± 0.0008 Å |
| c | 19.8211 ± 0.0008 Å |
| α | 90° |
| β | 90.526 ± 0.003° |
| γ | 90° |
| Cell volume | 6953.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 0.14 K |
| Ambient diffraction temperature | 173 ± 0.14 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1176 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.1917 |
| Weighted residual factors for all reflections included in the refinement | 0.2194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270109 (current) | 2021-10-29 | cif/ Adding structures of 1565062, 1565063, 1565064, 1565065, 1565066, 1565067, 1565068, 1565069, 1565070, 1565071, 1565072 via cif-deposit CGI script. |
1565069.cif |
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Users of the data should acknowledge the original authors of the
structural data.