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Information card for entry 4084219
Preview
| Coordinates | 4084219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Au(III)Br |
|---|---|
| Chemical name | toste103 |
| Formula | C31.9 H38.8 Au Br Cl1.8 N3 S2 |
| Calculated formula | C31.9 H38.8 Au Br Cl1.8 N3 S2 |
| Title of publication | Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors. |
| Authors of publication | Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 16 |
| Pages of publication | 4169 - 4172 |
| a | 10.6673 ± 0.0005 Å |
| b | 12.8317 ± 0.0006 Å |
| c | 14.8811 ± 0.0007 Å |
| α | 101.749 ± 0.003° |
| β | 102.66 ± 0.003° |
| γ | 105.925 ± 0.003° |
| Cell volume | 1834.05 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0516 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.1029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084219.cif |
| 204147 | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4084219.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4084219.cif |
| 123101 | 2014-09-06 | cif/ Updating files of 4084216, 4084217, 4084218, 4084219, 4084220, 4084221, 4084222 Original log message: Adding full bibliography for 4084216--4084222.cif. |
4084219.cif |
| 122157 | 2014-08-18 | cif/ Adding structures of 4084216, 4084217, 4084218, 4084219, 4084220, 4084221, 4084222 via cif-deposit CGI script. |
4084219.cif |
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Users of the data should acknowledge the original authors of the
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