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Information card for entry 7044328
Preview
| Coordinates | 7044328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H64 N12 O30 S2 Ti6 |
|---|---|
| Calculated formula | C86 H64 N12 O30 S2 Ti6 |
| Title of publication | Two Titanium(IV)-Oxo-Clusters: Synthesis, Structures, Character-ization and Recycling Catalytic Activity in Oxygenation of Sulfide |
| Authors of publication | Zhu, Long-Guan; Wu, Rong-Hui; Guo, Ming; Yu, Mingxin |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 25.875 ± 0.004 Å |
| b | 29.103 ± 0.002 Å |
| c | 23.05 ± 0.002 Å |
| α | 90° |
| β | 121.355 ± 0.018° |
| γ | 90° |
| Cell volume | 14823 ± 4 Å3 |
| Cell temperature | 170.5 K |
| Ambient diffraction temperature | 170.5 K |
| Number of distinct elements | 6 |
| 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 | 0.2302 |
| Residual factor for significantly intense reflections | 0.1731 |
| Weighted residual factors for significantly intense reflections | 0.4903 |
| Weighted residual factors for all reflections included in the refinement | 0.5218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.831 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201331 (current) | 2017-09-27 | cif/ Adding structures of 7044328, 7044329 via cif-deposit CGI script. |
7044328.cif |
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