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Information card for entry 7134742
Preview
Coordinates | 7134742.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H18 Fe N4 S2 |
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Calculated formula | C24 H18 Fe N4 S2 |
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 | 23.582 ± 0.008 Å |
b | 7.927 ± 0.003 Å |
c | 11.326 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2117.2 ± 1.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0219 |
Residual factor for significantly intense reflections | 0.0206 |
Weighted residual factors for significantly intense reflections | 0.0506 |
Weighted residual factors for all reflections included in the refinement | 0.0512 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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. |
7134742.cif |
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Users of the data should acknowledge the original authors of the
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