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Information card for entry 7134743
Preview
| Coordinates | 7134743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H38 Cl2 Fe2 N8 O11 S4 |
|---|---|
| Calculated formula | C50 H38 Cl2 Fe2 N8 O11 S4 |
| Title of publication | Nuclearity Effect on Water Oxidation: A Comparative Study of Dinuclear and Mononuclear Iron Complexes |
| Authors of publication | Yan, Rong; Li, Zi-Han; Luo, Qian-Cheng; Sun, Na-Na; Ho, Johnny C.; Zheng, Yan-Zhen |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 9.0102 ± 0.0007 Å |
| b | 11.9133 ± 0.0009 Å |
| c | 25.039 ± 0.002 Å |
| α | 84.209 ± 0.003° |
| β | 86.646 ± 0.003° |
| γ | 85.619 ± 0.003° |
| Cell volume | 2662.7 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1547 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300135 (current) | 2025-06-20 | cif/ Adding structures of 7134742, 7134743 via cif-deposit CGI script. |
7134743.cif |
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