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Information card for entry 1573210
Preview
| Coordinates | 1573210.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | diaqua-(meso-tetraphenylporphyrinaluminium(III) chloride-dichloromethane-diethylether (1:1:2) |
|---|---|
| Formula | C53 H54 Al Cl3 N4 O4 |
| Calculated formula | C53 H54 Al Cl3 N4 O4 |
| 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 | 12.8578 ± 0.0004 Å |
| b | 25.9009 ± 0.0017 Å |
| c | 15.8434 ± 0.0006 Å |
| α | 90° |
| β | 113.448 ± 0.001° |
| γ | 90° |
| Cell volume | 4840.6 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1141 |
| Weighted residual factors for all reflections included in the refinement | 0.1182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296015 (current) | 2024-11-21 | cif/ Adding structures of 1573210, 1573211, 1573212 via cif-deposit CGI script. |
1573210.cif |
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