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Information card for entry 7039822
Preview
| Coordinates | 7039822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H28 Br2 N4 O2 |
|---|---|
| Calculated formula | C20 H28 Br2 N4 O2 |
| Title of publication | Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications. |
| Authors of publication | Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 30 |
| Pages of publication | 12221 - 12236 |
| a | 9.2891 ± 0.0014 Å |
| b | 11.4501 ± 0.0017 Å |
| c | 11.666 ± 0.002 Å |
| α | 104.754 ± 0.002° |
| β | 111.067 ± 0.002° |
| γ | 92.096 ± 0.002° |
| Cell volume | 1108.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0678 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039822.cif |
| 185328 | 2016-08-07 | cif/ Updating files of 7039821, 7039822, 7039823, 7039824, 7039825, 7039826, 7039827, 7039828, 7039829, 7039830 Original log message: Adding full bibliography for 7039821--7039830.cif. |
7039822.cif |
| 184274 | 2016-07-07 | cif/ Adding structures of 7039821, 7039822, 7039823, 7039824, 7039825, 7039826, 7039827, 7039828, 7039829, 7039830 via cif-deposit CGI script. |
7039822.cif |
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Users of the data should acknowledge the original authors of the
structural data.