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Information card for entry 7040751
Preview
| Coordinates | 7040751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 4,4'-dibromo-2,2'-bipyridine |
|---|---|
| Formula | C10 H6 Br2 N2 |
| Calculated formula | C10 H6 Br2 N2 |
| SMILES | c1cc(cc(n1)c1cc(ccn1)Br)Br |
| Title of publication | Phenyl substitution of cationic bis-cyclometalated iridium(iii) complexes for iTMC-LEECs. |
| Authors of publication | Suhr, Kristin J.; Bastatas, Lyndon D.; Shen, Yulong; Mitchell, Lauren A.; Frazier, Gary A.; Taylor, David W.; Slinker, Jason D.; Holliday, Bradley J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 44 |
| Pages of publication | 17807 - 17823 |
| a | 3.9238 ± 0.0011 Å |
| b | 15.66 ± 0.005 Å |
| c | 7.824 ± 0.002 Å |
| α | 90° |
| β | 93.273 ± 0.009° |
| γ | 90° |
| Cell volume | 480 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7040751.cif |
| 190195 | 2017-01-09 | cif/ Updating files of 7040751, 7040752, 7040753, 7040754, 7040755, 7040756, 7040757 Original log message: Adding full bibliography for 7040751--7040757.cif. |
7040751.cif |
| 186817 | 2016-09-28 | cif/ Adding structures of 7040751, 7040752, 7040753, 7040754, 7040755, 7040756, 7040757 via cif-deposit CGI script. |
7040751.cif |
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Users of the data should acknowledge the original authors of the
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