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Information card for entry 1573211
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| Coordinates | 1573211.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(diethylether)-(meso-tetraphenylporphyrinato)aluminium(III) complex |
|---|---|
| Formula | C52 H48 Al N4 O2 |
| Calculated formula | C52 H48 Al N4 O2 |
| Title of publication | Aluminium porphyrins catalyse the hydrogenation of CO2 withH2 |
| Authors of publication | Kumar, Nitin; Gastelu, Gabriela; Zabransky, Martin; Kukla, Jaroslav; Uranga, Jorge Gustavo; Hulla, Martin |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 14.4907 ± 0.0003 Å |
| b | 14.4907 ± 0.0003 Å |
| c | 9.9423 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2087.69 ± 0.09 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296015 (current) | 2024-11-21 | cif/ Adding structures of 1573210, 1573211, 1573212 via cif-deposit CGI script. |
1573211.cif |
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