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Information card for entry 1572316
Preview
| Coordinates | 1572316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H88 Cl6 O26 Sn2 Ti6 |
|---|---|
| Calculated formula | C48 H88 Cl6 O26 Sn2 Ti6 |
| SMILES | [Sn]12(Cl)(Cl)(Cl)[O]3[Ti]456(OCC(C[O]6CC(CO5)(CC)C[O]14)(C3)CC)O[Ti]134([O]56[Ti]789([O](CC(CO9)(C[O]8CC(C5)(CO7)CC)CC)[Ti]576([O]63[Ti]389([O]4CC(CO9)(C[O]8CC(C6)(CO3)CC)CC)O5)O[Ti]3456OCC8(C[O]6CC(CO5)(CC)C[O]4[Sn](Cl)(Cl)(Cl)([O]3C8)O7)CC)O1)O2 |
| Title of publication | Modulated assembly and structural diversity of heterometallic Sn–Ti oxo clusters from inorganic tin precursors |
| Authors of publication | Zhao, Hui-Fang; Liu, Fang-Fang; Ding, Qing-Rong; Wang, Di; Zhang, Jian; Zhang, Lei |
| Journal of publication | Nanoscale |
| Year of publication | 2024 |
| Journal volume | 16 |
| Journal issue | 35 |
| Pages of publication | 16451 - 16457 |
| a | 12.3168 ± 0.0004 Å |
| b | 14.0058 ± 0.0004 Å |
| c | 15.4344 ± 0.0003 Å |
| α | 110.064 ± 0.002° |
| β | 92.418 ± 0.002° |
| γ | 112.772 ± 0.003° |
| Cell volume | 2258.45 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1759 |
| Weighted residual factors for all reflections included in the refinement | 0.1815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.3405 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295298 (current) | 2024-10-06 | cif/ Updating files of 1572311, 1572312, 1572313, 1572314, 1572315, 1572316, 1572317, 1572318 Original log message: Adding full bibliography for 1572311--1572318.cif. |
1572316.cif |
| 294075 | 2024-08-12 | cif/ Adding structures of 1572311, 1572312, 1572313, 1572314, 1572315, 1572316, 1572317, 1572318 via cif-deposit CGI script. |
1572316.cif |
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Users of the data should acknowledge the original authors of the
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