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Information card for entry 7709490
Preview
| Coordinates | 7709490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C124 H102 N20 O70 Ti19 |
|---|---|
| Calculated formula | C124 H102 N20 O70 Ti19 |
| 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 | 22.0234 ± 0.001 Å |
| b | 15.8771 ± 0.0005 Å |
| c | 28.8999 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10105.4 ± 0.6 Å3 |
| Cell temperature | 172.99 ± 0.1 K |
| Ambient diffraction temperature | 172.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.0965 |
| Residual factor for significantly intense reflections | 0.0704 |
| Weighted residual factors for significantly intense reflections | 0.1918 |
| Weighted residual factors for all reflections included in the refinement | 0.2147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
7709490.cif |
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Users of the data should acknowledge the original authors of the
structural data.