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Information card for entry 3000277
Preview
| Coordinates | 3000277.cif |
|---|---|
| Structure factors | 3000277.hkl |
| Formula | C17 H14 Au Cl N O P |
|---|---|
| Calculated formula | C17 H14 Au Cl N O P |
| Authors of publication | Daniel Kratzert |
| Journal of publication | Personal communication to COD |
| Year of publication | 2023 |
| a | 8.4537 ± 0.0004 Å |
| b | 10.9203 ± 0.0005 Å |
| c | 18.0807 ± 0.0012 Å |
| α | 90° |
| β | 90.945 ± 0.003° |
| γ | 90° |
| Cell volume | 1668.93 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0147 |
| Residual factor for significantly intense reflections | 0.0131 |
| Weighted residual factors for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.0296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285197 (current) | 2023-07-13 | cif/ hkl/ Updating files of 3000277 Original log message: Releasing structure 3000277 into public domain as personal communication to COD. |
3000277.cif 3000277.hkl |
| 255479 | 2020-08-20 | cif/ hkl/ Adding structures of 3000277 via cif-deposit CGI script. |
3000277.cif |
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Users of the data should acknowledge the original authors of the
structural data.