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Information card for entry 7228384
Preview
| Coordinates | 7228384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H120 Cl16 F24 Ir4 N24 O P4 |
|---|---|
| Calculated formula | C80 H120 Cl16 F24 Ir4 N24 O P4 |
| Title of publication | Reactions between hydroxyl-substituted alkylperoxy radicals and Criegee intermediates: correlations of the electronic characteristics of methyl substituents and the reactivity. |
| Authors of publication | Zhao, Qiangli; Liu, Fengyi; Wang, Weina; Li, Chunying; Lü, Jian; Wang, Wenliang |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2017 |
| a | 37.887 ± 0.005 Å |
| b | 8.061 ± 0.005 Å |
| c | 20.793 ± 0.005 Å |
| α | 90° |
| β | 111.38 ± 0.005° |
| γ | 90° |
| Cell volume | 5913 ± 4 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0673 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197515 (current) | 2017-06-05 | cif/ Adding structures of 7228383, 7228384, 7228385 via cif-deposit CGI script. |
7228384.cif |
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