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Information card for entry 7711303
Preview
| Coordinates | 7711303.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C130 H151 N25 O52 Ti12 |
|---|---|
| Calculated formula | C130 H151 N25 O52 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 | 17.8911 ± 0.0004 Å |
| b | 14.9531 ± 0.0004 Å |
| c | 28.9581 ± 0.0006 Å |
| α | 90° |
| β | 98.617 ± 0.002° |
| γ | 90° |
| Cell volume | 7659.6 ± 0.3 Å3 |
| Cell temperature | 172.99 K |
| Ambient diffraction temperature | 172.99 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1122 |
| Residual factor for significantly intense reflections | 0.0782 |
| Weighted residual factors for significantly intense reflections | 0.2039 |
| Weighted residual factors for all reflections included in the refinement | 0.223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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. |
7711303.cif |
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Users of the data should acknowledge the original authors of the
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