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Information card for entry 3500042
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| Coordinates | 3500042.cif |
|---|---|
| Structure factors | 3500042.hkl |
| Chemical name | Tris(phenanthroline)zinc dimethylazaxanthinate heptahydrate |
|---|---|
| Formula | C48 H50 N16 O11 Zn |
| Calculated formula | C48 H50 N16 O11 Zn |
| Title of publication | Tris(phenanthroline)zinc dimethylazaxanthinate heptahydrate |
| Authors of publication | Maldonado, Carmen R.; Quirós, Miguel; Salas, Juan M. |
| Journal of publication | Personal communication to COD |
| Year of publication | 2016 |
| a | 13.8436 ± 0.001 Å |
| b | 13.9166 ± 0.001 Å |
| c | 15.0218 ± 0.0011 Å |
| α | 105.968 ± 0.001° |
| β | 99.884 ± 0.001° |
| γ | 113.157 ± 0.001° |
| Cell volume | 2426.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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