Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551216
Preview
| Coordinates | 1551216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H172 N4 O36 Ti10 |
|---|---|
| Calculated formula | C86 H170 N4 O36 Ti10 |
| SMILES | [Ti]12(OC(C)C)[O]=C(O[Ti](O[Ti](O[Ti](OC(C)C)(ON=C(C(=[N]2O[Ti](OC(C)C)(O1)(OC(C)C)OC(C)C)C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)c1cc2c(cc(C3=[O][Ti]4(O[Ti](OC(C)C)(O[N]4=C(C)C(=NO[Ti](O[Ti](O[Ti](O3)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)(OC(C)C)OC(C)C)C)(OC(C)C)OC(C)C)OC(C)C)cc2)cc1 |
| 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 | 19.4857 ± 0.0004 Å |
| b | 26.4883 ± 0.0007 Å |
| c | 22.5872 ± 0.0005 Å |
| α | 90° |
| β | 94.059 ± 0.002° |
| γ | 90° |
| Cell volume | 11629 ± 0.5 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1024 |
| Residual factor for significantly intense reflections | 0.0771 |
| Weighted residual factors for significantly intense reflections | 0.1818 |
| Weighted residual factors for all reflections included in the refinement | 0.1911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1551216.cif |
| 215695 | 2019-06-05 | cif/ Adding structures of 1551215, 1551216, 1551217, 1551218, 1551219, 1551220, 1551221, 1551222 via cif-deposit CGI script. |
1551216.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.