Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7709489
Preview
| Coordinates | 7709489.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H96 N4 O48 Ti17 |
|---|---|
| Calculated formula | C56 H95.5 N4 O48 Ti17 |
| Title of publication | Syntheses, structures and ligand binding modes of titanium-oxide complexes of 2-picolinate |
| Authors of publication | Gao, Chang; Liu, Caiyun; Said, Amir; Niu, Huihui; Wang, Dexin; Wang, Guo; Tung, Chen-Ho; Wang, Yifeng |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 14.1453 ± 0.0018 Å |
| b | 25.9558 ± 0.0014 Å |
| c | 14.178 ± 0.002 Å |
| α | 90° |
| β | 112.466 ± 0.015° |
| γ | 90° |
| Cell volume | 4810.4 ± 1.1 Å3 |
| Cell temperature | 172.99 ± 0.1 K |
| Ambient diffraction temperature | 172.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1319 |
| Residual factor for significantly intense reflections | 0.1015 |
| Weighted residual factors for significantly intense reflections | 0.287 |
| Weighted residual factors for all reflections included in the refinement | 0.3121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272980 (current) | 2022-02-16 | cif/ Adding structures of 7709487, 7709488, 7709489, 7709490, 7709491, 7709492 via cif-deposit CGI script. |
7709489.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.