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Information card for entry 7249936
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| Coordinates | 7249936.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ti29KO39(OEt)38 |
|---|---|
| Formula | C76 H190 K O77 Ti29 |
| Calculated formula | C76 H190 K O77 Ti29 |
| Title of publication | Solid-Phase Synthesis of Titanium-Oxo Clusters and Their Unprecedented Catalytic Performance in Oxidative Desulfurization of Fuel Oil |
| Authors of publication | Liu, Xinchun; Yuan, Yanpeng; Fu, Jiawei; Kong, Yuqing; Sun, Yinyong; Li, Xiaolin; Qu, Nan |
| Journal of publication | Green Chemistry |
| Year of publication | 2024 |
| a | 16.5381 ± 0.0009 Å |
| b | 17.0084 ± 0.0009 Å |
| c | 28.4386 ± 0.0016 Å |
| α | 85.261 ± 0.003° |
| β | 79.664 ± 0.003° |
| γ | 68.022 ± 0.002° |
| Cell volume | 7296.6 ± 0.7 Å3 |
| Cell temperature | 298.3 K |
| Ambient diffraction temperature | 298.3 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1019 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1844 |
| Weighted residual factors for all reflections included in the refinement | 0.2087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297691 (current) | 2025-02-12 | cif/ Adding structures of 7249936 via cif-deposit CGI script. |
7249936.cif |
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