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Information card for entry 1576216
Preview
| Coordinates | 1576216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H146 N2 O36 P6 Ti8 |
|---|---|
| Calculated formula | C88 H146 N2 O36 P6 Ti8 |
| Title of publication | A Bioinspired Polyoxo-Titanium Cluster for Efficient Photocatalytic CO2 Reduction Assisted by Hydrogen Bonding |
| Authors of publication | Zhang, Shiming; Zhao, Guoxiang; Yan, Yayu; Li, Qiao-Hong; Zhang, Hai-Xia; Wu, Xin; Zhang, Jian |
| Journal of publication | Materials Horizons |
| Year of publication | 2025 |
| a | 11.33 ± 0.0001 Å |
| b | 12.8285 ± 0.0002 Å |
| c | 19.9795 ± 0.0002 Å |
| α | 93.765 ± 0.001° |
| β | 104.804 ± 0.001° |
| γ | 96.71 ± 0.001° |
| Cell volume | 2774.5 ± 0.06 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0314 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303189 (current) | 2025-11-05 | cif/ Adding structures of 1576215, 1576216, 1576217 via cif-deposit CGI script. |
1576216.cif |
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Users of the data should acknowledge the original authors of the
structural data.