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Information card for entry 4117572
Preview
| Coordinates | 4117572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H52 Cl4 Co N8 |
|---|---|
| Calculated formula | C82 H52 Cl4 Co N8 |
| Title of publication | Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine |
| Authors of publication | Tatsuhiko Honda; Takahiko Kojima; Shunichi Fukuzumi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 4196 - 4206 |
| a | 12.05 ± 0.002 Å |
| b | 15.207 ± 0.003 Å |
| c | 17.854 ± 0.004 Å |
| α | 102.894 ± 0.003° |
| β | 96.042 ± 0.003° |
| γ | 100.331 ± 0.003° |
| Cell volume | 3101.2 ± 1.1 Å3 |
| Cell temperature | 123.1 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.2006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4117572.cif |
| 74692 | 2013-03-03 | cif/ Adding structures of 4117572 via cif-deposit CGI script. |
4117572.cif |
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Users of the data should acknowledge the original authors of the
structural data.