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Information card for entry 7246333
Preview
| Coordinates | 7246333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C126 H210 N2 O36 Ti10 |
|---|---|
| Calculated formula | C126 H210 N2 O36 Ti10 |
| Title of publication | Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry |
| Authors of publication | Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 11 |
| Pages of publication | 1617 - 1625 |
| a | 15.7345 ± 0.0004 Å |
| b | 16.732 ± 0.0004 Å |
| c | 17.2068 ± 0.0006 Å |
| α | 83.659 ± 0.002° |
| β | 66.309 ± 0.003° |
| γ | 89.939 ± 0.002° |
| Cell volume | 4118.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0875 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282330 (current) | 2023-04-04 | cif/ Updating files of 7246333, 7246334, 7246335, 7246336 Original log message: Adding full bibliography for 7246333--7246336.cif. |
7246333.cif |
| 281135 | 2023-02-25 | cif/ Adding structures of 7246333, 7246334, 7246335, 7246336 via cif-deposit CGI script. |
7246333.cif |
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Users of the data should acknowledge the original authors of the
structural data.