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Information card for entry 7714072
Preview
| Coordinates | 7714072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5-bromo-1-phenyl-1H-benzo[d]imidazole |
|---|---|
| Formula | C13 H9 Br N2 |
| Calculated formula | C13 H9 Br N2 |
| Title of publication | Effect of substitution on deep-blue Ir(III) N-heterocyclic carbene (NHC) emitters |
| Authors of publication | Gupta, Rahat; Sahni, Priya; Jana, Salil K.; Negi, Anshul; Pal, Amlan K. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 16.718 ± 0.003 Å |
| b | 3.964 ± 0.0008 Å |
| c | 16.793 ± 0.004 Å |
| α | 90° |
| β | 101.542 ± 0.007° |
| γ | 90° |
| Cell volume | 1090.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0479 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286601 (current) | 2023-09-29 | cif/ Adding structures of 7714071, 7714072, 7714073, 7714074 via cif-deposit CGI script. |
7714072.cif |
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