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Information card for entry 4515859
Preview
| Coordinates | 4515859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H44 Cl3 N2 O2 P2 Ru |
|---|---|
| Calculated formula | C59 H44 Cl3 N2 O2 P2 Ru |
| Title of publication | Orthometalated <i>N</i>-(Benzophenoxazine)-<i>o</i>-aminophenol: Phenolato versus Phenoxyl States. |
| Authors of publication | Mondal, Sandip; Bera, Sachinath; Maity, Suvendu; Ghosh, Prasanta |
| Journal of publication | ACS omega |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 13323 - 13334 |
| a | 27.173 ± 0.009 Å |
| b | 18.901 ± 0.006 Å |
| c | 23.601 ± 0.012 Å |
| α | 90° |
| β | 121.36 ± 0.013° |
| γ | 90° |
| Cell volume | 10351 ± 7 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1073 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1825 |
| Weighted residual factors for all reflections included in the refinement | 0.2238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.467 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225959 (current) | 2019-11-10 | cif/ Adding structures of 4515859, 4515860, 4515861 via cif-deposit CGI script. |
4515859.cif |
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Users of the data should acknowledge the original authors of the
structural data.