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Information card for entry 1570643
Preview
| Coordinates | 1570643.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H100 O58 Ti16 |
|---|---|
| Calculated formula | C134 H100 O58 Ti16 |
| SMILES | c12c(cccc1)O[Ti]134(O2)[O]2c5c(cccc5)O[Ti]5672Oc2c(cccc2)[O]5[Ti]258(Oc9c(O2)cccc9)O[Ti]29%10(Oc%11c(cccc%11)O2)[O]2c%11c(cccc%11)O[Ti]2%11([O]1c1c(cccc1)O%11)([O]36)[O]9[Ti]1236[O](c9c(cccc9)O6)[Ti]69(Oc%11c(cccc%11)O9)(O4)[O]4c9c(cccc9)O[Ti]94([O]16)([O]78)[O]5[Ti]1456Oc7c(cccc7)[O]1[Ti]178(Oc%11c(cccc%11)O1)[O]1c%11c(cccc%11)O[Ti]1%11([O]47)([O]2%10)[O]3[Ti]123(Oc4c(O2)cccc4)[O]2c4c(cccc4)O[Ti]247([O]1%11)[O](c1c(O7)cccc1)[Ti]12(Oc7c(cccc7)O1)(O8)[O]1c7c(cccc7)O[Ti]178([O]42)Oc2c(cccc2)[O]7[Ti]1(Oc2c(cccc2)O1)(O3)([O]95)[O]68.c1ccccc1C.O.c1ccccc1C.O |
| Title of publication | All-catecholate-stabilized black titanium-oxo clusters for efficient photothermal conversion. |
| Authors of publication | Hou, Jinle; Huang, Nahui; Acharya, Dinesh; Liu, Yuxin; Zhu, Jiaying; Teng, Jiaxin; Wang, Zhi; Qu, Konggang; Zhang, Xianxi; Sun, Di |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 7 |
| Pages of publication | 2655 - 2664 |
| a | 15.114 ± 0.004 Å |
| b | 16.444 ± 0.005 Å |
| c | 17.284 ± 0.005 Å |
| α | 63.041 ± 0.009° |
| β | 64.513 ± 0.013° |
| γ | 71.596 ± 0.009° |
| Cell volume | 3417.2 ± 1.7 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1185 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.1865 |
| Weighted residual factors for all reflections included in the refinement | 0.2212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290128 (current) | 2024-03-04 | cif/ Updating files of 1570642, 1570643, 1570644, 1570645 Original log message: Adding full bibliography for 1570642--1570645.cif. |
1570643.cif |
| 288660 | 2024-01-04 | cif/ Adding structures of 1570642, 1570643, 1570644, 1570645 via cif-deposit CGI script. |
1570643.cif |
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Users of the data should acknowledge the original authors of the
structural data.