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Information card for entry 7040965
Preview
| Coordinates | 7040965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H121 Gd N2 O37 Ti11 |
|---|---|
| Calculated formula | C51 Gd N2 O37 Ti11 |
| SMILES | [Gd]12345([O]6[Ti]789(OC(C)C)[O]([Ti]%10%11%12([O]8[Ti]8([O]7C(C)C)([O]%12C(C)C)([O]7[Ti]%12%13([O]9[Ti]96(OC(C)C)[O]1[Ti]16%14(OC(C)C)[O]3[Ti]3([O]2%10)([O]%11[Ti]2%10([O]3[Ti]3%11([O]6[Ti]([O]%129)([O]1C(C)C)([O]%13[Ti]7([O]82)([O]%10%11)OC(C)C)(OC(C)C)[O]3C(C)C)([O]%14C(C)C)OC(C)C)OC(C)C)OC(C)C)OC(C)C)OC(C)C)OC(C)C)C(C)C)([O]=N(=O)O4)[O]=N(=O)O5 |
| Title of publication | A lanthanide-titanium (LnTi11) oxo-cluster, a potential molecule based fluorescent labelling agent and photocatalyst. |
| Authors of publication | Zhang, Guang-Lin; Wang, Sheng; Hou, Jin-Le; Mo, Chong-Jiao; Que, Chen-Jie; Zhu, Qin-Yu; Dai, Jie |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 44 |
| Pages of publication | 17681 - 17686 |
| a | 15.393 ± 0.005 Å |
| b | 15.023 ± 0.004 Å |
| c | 20.366 ± 0.006 Å |
| α | 90° |
| β | 90.753 ± 0.007° |
| γ | 90° |
| Cell volume | 4709 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.139 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190173 (current) | 2017-01-09 | cif/ Updating files of 7040963, 7040964, 7040965 Original log message: Adding full bibliography for 7040963--7040965.cif. |
7040965.cif |
| 187439 | 2016-10-20 | cif/ Adding structures of 7040963, 7040964, 7040965 via cif-deposit CGI script. |
7040965.cif |
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