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Information card for entry 4512899
Preview
| Coordinates | 4512899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H50 Cd2 N6 O12 |
|---|---|
| Calculated formula | C57 H50 Cd2 N6 O12 |
| Title of publication | Photochemical and Magnetic Properties of Seven New Metal‒Organic Frameworks Constructed by Flexible Tetrapyridines and V-Shaped Polycarboxylate Acids |
| Authors of publication | Hu, Jin-Song; Huang, Xin-Hua; Pan, Cheng-Ling; Zhang, Lei |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 5 |
| Pages of publication | 2272 |
| a | 21.6968 ± 0.0019 Å |
| b | 18.675 ± 0.0017 Å |
| c | 35.58 ± 0.003 Å |
| α | 90° |
| β | 99.472 ± 0.002° |
| γ | 90° |
| Cell volume | 14220 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0925 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4512899.cif |
| 138065 | 2015-06-05 | cif/ Updating files of 4512895, 4512896, 4512897, 4512898, 4512899, 4512900, 4512901 Original log message: Adding full bibliography for 4512895--4512901.cif. |
4512899.cif |
| 136221 | 2015-05-13 | cif/ Adding structures of 4512895, 4512896, 4512897, 4512898, 4512899, 4512900, 4512901 via cif-deposit CGI script. |
4512899.cif |
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Users of the data should acknowledge the original authors of the
structural data.