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Information card for entry 1551215
Preview
| Coordinates | 1551215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H170 N4 O36 Ti10 |
|---|---|
| Calculated formula | C82 H168 N4 O36 Ti10 |
| SMILES | C1(C(C)=[N]2O[Ti]3(OC(C)C)(OC(C)C)[O](C(C)C)[Ti]45([O]3[Ti]362([N]=1O[Ti]1([O]6[Ti]([O]53)([O]1C(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)([O]=C(c1ccc(C2=[O][Ti]35([O](C(C)C)[Ti]6(O[N]7=C(C(C)=[N]8O[Ti]9([O]%10[Ti]78([O]36)([O]5[Ti]%10([O]9C(C)C)(OC(C)C)OC(C)C)(O2)OC(C)C)(OC(C)C)OC(C)C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)cc1)O4)OC(C)C)(OC(C)C)OC(C)C)C |
| Title of publication | Ligand-directed assembly engineering of trapezoidal {Ti<sub>5</sub>} building blocks stabilized by dimethylglyoxime. |
| Authors of publication | Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 27 |
| Pages of publication | 9916 - 9919 |
| a | 10.9245 ± 0.0002 Å |
| b | 23.0505 ± 0.0006 Å |
| c | 23.9209 ± 0.0006 Å |
| α | 90° |
| β | 92.241 ± 0.002° |
| γ | 90° |
| Cell volume | 6019 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0955 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.2097 |
| Weighted residual factors for all reflections included in the refinement | 0.2353 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223870 (current) | 2019-11-07 | cif/ Updating files of 1551215, 1551216, 1551217, 1551218, 1551219, 1551220, 1551221, 1551222 Original log message: Adding full bibliography for 1551215--1551222.cif. |
1551215.cif |
| 215695 | 2019-06-05 | cif/ Adding structures of 1551215, 1551216, 1551217, 1551218, 1551219, 1551220, 1551221, 1551222 via cif-deposit CGI script. |
1551215.cif |
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Users of the data should acknowledge the original authors of the
structural data.