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Information card for entry 7711304
Preview
| Coordinates | 7711304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116 H100 N20 O57 Ti12 |
|---|---|
| Calculated formula | C116 H100 N20 O57 Ti12 |
| Title of publication | New Picolinate-Functionalized Titanium-Oxide Clusters: Syntheses, Structure and Photocatalytic H2 Evolution |
| Authors of publication | Gao, Chang; Wang, Dexin; Liu, Yanshu; Zhang, Guanyun; Liu, Caiyun; Said, Amir; Niu, Huihui; Tung, Chen-Ho; Wang, Yifeng |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 32.8178 ± 0.0007 Å |
| b | 15.2483 ± 0.0003 Å |
| c | 32.1138 ± 0.0008 Å |
| α | 90° |
| β | 114.021 ± 0.003° |
| γ | 90° |
| Cell volume | 14678.5 ± 0.7 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1449 |
| Residual factor for significantly intense reflections | 0.1097 |
| Weighted residual factors for significantly intense reflections | 0.2974 |
| Weighted residual factors for all reflections included in the refinement | 0.3261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277988 (current) | 2022-09-20 | cif/ Adding structures of 7711303, 7711304 via cif-deposit CGI script. |
7711304.cif |
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