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Information card for entry 8107585
Preview
| Coordinates | 8107585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 Br N2 O2 |
|---|---|
| Calculated formula | C12 H13 Br N2 O2 |
| Title of publication | Crystal structure of 1,10-phenanthrolinium bromide dihydrate, C12H9N2Br |
| Authors of publication | Adeloye, Adewale O.; Clayton, Hadley S. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 5 |
| Pages of publication | 867 - 869 |
| a | 7.4005 ± 0.0013 Å |
| b | 9.4122 ± 0.0016 Å |
| c | 9.7916 ± 0.0017 Å |
| α | 98.235 ± 0.009° |
| β | 101.744 ± 0.008° |
| γ | 111.005 ± 0.007° |
| Cell volume | 605.69 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 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 | 0.0229 |
| Residual factor for significantly intense reflections | 0.0209 |
| Weighted residual factors for significantly intense reflections | 0.0507 |
| Weighted residual factors for all reflections included in the refinement | 0.0514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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 |
|---|---|---|---|
| 286676 (current) | 2023-10-05 | cif/ Adding structures of 8107585 via cif-deposit CGI script. |
8107585.cif |
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Users of the data should acknowledge the original authors of the
structural data.