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Information card for entry 4514643
Preview
| Coordinates | 4514643.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C103 H224 Ni4 O32 Si8 |
|---|---|
| Calculated formula | C103 H224 Ni4 O32 Si8 |
| Title of publication | Specific Localization of Aluminum Sites Favors Ethene-to-Propene Conversion on (Al)MCM-41-Supported Ni(II) Single Sites |
| Authors of publication | Moroz, Ilia B.; Lund, Alicia; Kaushik, Monu; Severy, Laurent; Gajan, David; Fedorov, Alexey; Lesage, Anne; Copéret, Christophe |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 7476 |
| a | 24.2076 ± 0.0004 Å |
| b | 27.078 ± 0.0003 Å |
| c | 21.532 ± 0.0003 Å |
| α | 90° |
| β | 106.288 ± 0.002° |
| γ | 90° |
| Cell volume | 13547.6 ± 0.4 Å3 |
| Cell temperature | 103 ± 1 K |
| Ambient diffraction temperature | 103 ± 1 K |
| Number of distinct elements | 5 |
| 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 | 0.0764 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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 |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4514643.cif |
| 219826 | 2019-10-28 | cif/ Adding structures of 4514643 via cif-deposit CGI script. |
4514643.cif |
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Users of the data should acknowledge the original authors of the
structural data.