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Information card for entry 1570644
Preview
| Coordinates | 1570644.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C154 H136 O56 Ti16 |
|---|---|
| Calculated formula | C154 H136 O56 Ti16 |
| SMILES | c12c(c(ccc1)C)O[Ti]1345[O]2[Ti]267(Oc8c(O2)c(ccc8)C)[O]2c8c(c(ccc8)C)O[Ti]892([O]17)[O]1[Ti]27%10%11Oc%12c(cccc%12C)[O]2[Ti]12%12(Oc1cccc(c1O2)C)[O]8[Ti]128%13[O](c%14c(c(ccc%14)C)O2)[Ti]2%14%15(Oc%16c(O2)c(ccc%16)C)[O]2c%16c(c(ccc%16)C)O[Ti]%162([O]1%15)([O]4[Ti]12(Oc4c(O2)c(ccc4)C)(O%12)[O]2c4c(c(ccc4)C)O[Ti]4%152([O]13)Oc1c(cccc1C)[O]%15[Ti]1(O6)([O]4%11)(Oc2c(cccc2C)O1)[O]7c1cccc(c1O%10)C)[O]1[Ti]2346Oc7c(cccc7C)[O]3[Ti]31(Oc1cccc(c1O3)C)([O]5%16)O[Ti]13([O]9%13)(Oc5c(O1)c(ccc5)C)[O]1c5c(c(ccc5)C)O[Ti]571([O]83)Oc1c(cccc1C)[O]7[Ti]1(Oc3c(cccc3C)O1)(O%14)([O]65)[O]4c1cccc(c1O2)C.c1cccc(c1)C.c1cccc(c1)C |
| 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 | 16.79 ± 0.003 Å |
| b | 16.977 ± 0.003 Å |
| c | 17.003 ± 0.003 Å |
| α | 113.206 ± 0.007° |
| β | 113.379 ± 0.006° |
| γ | 98.474 ± 0.007° |
| Cell volume | 3814.6 ± 1.3 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 | 0.1346 |
| Residual factor for significantly intense reflections | 0.0894 |
| Weighted residual factors for significantly intense reflections | 0.2563 |
| Weighted residual factors for all reflections included in the refinement | 0.2961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
1570644.cif |
| 288660 | 2024-01-04 | cif/ Adding structures of 1570642, 1570643, 1570644, 1570645 via cif-deposit CGI script. |
1570644.cif |
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Users of the data should acknowledge the original authors of the
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