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Information card for entry 4345190
Preview
| Coordinates | 4345190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H73 Br2 Cu O16 P2 Ti4 |
|---|---|
| Calculated formula | C39 H62 Br2 Cu O16 P2 Ti4 |
| Title of publication | Cocrystal of {Ti4} and {Ti6} Clusters with Enhanced Photochemical Properties |
| Authors of publication | Wang, Jian-Fang; Fang, Wei-Hui; Li, Dong-Sheng; Zhang, Lei; Zhang, Jian |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2017 |
| a | 15.3644 ± 0.0012 Å |
| b | 16.4557 ± 0.0007 Å |
| c | 23.4463 ± 0.0018 Å |
| α | 90° |
| β | 108.091 ± 0.005° |
| γ | 90° |
| Cell volume | 5634.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0797 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1799 |
| Weighted residual factors for all reflections included in the refinement | 0.1968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191982 (current) | 2017-02-11 | cif/ Adding structures of 4345190, 4345191, 4345192 via cif-deposit CGI script. |
4345190.cif |
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