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Information card for entry 4080682
Preview
| Coordinates | 4080682.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5 in manuscript |
|---|---|
| Formula | C36 H44 Au N2 O1.5 |
| Calculated formula | C36 H44 Au N2 O1.5 |
| Title of publication | Gold Phenolate Complexes: Synthesis, Structure, and Reactivity |
| Authors of publication | Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 9 |
| Pages of publication | 2576 |
| a | 21.229 ± 0.003 Å |
| b | 14.067 ± 0.002 Å |
| c | 23.899 ± 0.004 Å |
| α | 90° |
| β | 112.638 ± 0.003° |
| γ | 90° |
| Cell volume | 6587.1 ± 1.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4080682.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. |
4080682.cif |
| 87262 | 2013-07-14 | cif/ Adding structures of 4080678, 4080679, 4080680, 4080681, 4080682, 4080683, 4080684 via cif-deposit CGI script. |
4080682.cif |
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Users of the data should acknowledge the original authors of the
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