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Information card for entry 7245838
Preview
| Coordinates | 7245838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H72 Br12 Ga4 N12 |
|---|---|
| Calculated formula | C72 H72 Br12 Ga4 N12 |
| Title of publication | Coordination polymers and molecular complexes of group 13 metal halides with bis-pyridylethane: comparison with rigid N-containing ligands |
| Authors of publication | Gugin, Nikita Y.; Virovets, Alexander V.; Peresypkina, Eugenia; Davydova, Elena I.; Timoshkin, Alexey Y. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 10.3077 ± 0.0001 Å |
| b | 30.5567 ± 0.0003 Å |
| c | 13.49162 ± 0.00013 Å |
| α | 90° |
| β | 99.2974 ± 0.001° |
| γ | 90° |
| Cell volume | 4193.62 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279300 (current) | 2022-11-16 | cif/ Adding structures of 7245831, 7245832, 7245833, 7245834, 7245835, 7245836, 7245837, 7245838 via cif-deposit CGI script. |
7245838.cif |
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