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Information card for entry 1550409
Preview
| Coordinates | 1550409.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H36 Cu F12 N8 O14.13 S4 |
|---|---|
| Calculated formula | C48 H36 Cu F12 N8 O14.1333 S4 |
| Title of publication | Low overpotential water oxidation at neutral pH catalyzed by a copper(II) porphyrin |
| Authors of publication | Liu, Yanju; Han, Yongzhen; Zhang, Zongyao; Zhang, Wei; Lai, Wenzhen; Wang, Yong; Cao, Rui |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 16.1504 ± 0.0011 Å |
| b | 16.2726 ± 0.0012 Å |
| c | 17.8745 ± 0.0013 Å |
| α | 99.297 ± 0.003° |
| β | 112.765 ± 0.002° |
| γ | 102.854 ± 0.002° |
| Cell volume | 4059.7 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0993 |
| Residual factor for significantly intense reflections | 0.0895 |
| Weighted residual factors for significantly intense reflections | 0.247 |
| Weighted residual factors for all reflections included in the refinement | 0.2578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212909 (current) | 2019-01-11 | cif/ Adding structures of 1550409 via cif-deposit CGI script. |
1550409.cif |
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