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Information card for entry 4063452
Preview
| Coordinates | 4063452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27.5 H39 Au Cl4 N2 |
|---|---|
| Calculated formula | C27.5 H39 Au Cl4 N2 |
| Title of publication | Synthetic and Structural Studies of [AuCl3(NHC)] Complexes |
| Authors of publication | Gaillard, Sylvain; Slawin, Alexandra M. Z.; Bonura, Allen T.; Stevens, Edwin D.; Nolan, Steven P. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 394 |
| a | 10.624 ± 0.003 Å |
| b | 16.102 ± 0.004 Å |
| c | 19.124 ± 0.004 Å |
| α | 90° |
| β | 99.749 ± 0.005° |
| γ | 90° |
| Cell volume | 3224.3 ± 1.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1469 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4063452.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. |
4063452.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063452.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063452.cif |
| 19491 | 2011-05-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4063442, 4063443, 4063444, 4063445, 4063446, 4063447, 4063448, 4063449, 4063450, 4063451, 4063452 via cif-deposit CGI script. |
4063452.cif |
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Users of the data should acknowledge the original authors of the
structural data.