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Information card for entry 4346659
Preview
| Coordinates | 4346659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H256 Cl14 N6 O32 Ti6 |
|---|---|
| Calculated formula | C96 H256 Cl14 N6 O32 Ti6 |
| Title of publication | Counteranion-Stabilized Titanium(IV) Isopolyoxocationic Clusters Isolated from Water. |
| Authors of publication | Zhang, Guanyun; Hou, Jie; Li, Mingzhong; Tung, Chen-Ho; Wang, Yifeng |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | 4704 - 4709 |
| a | 33.2861 ± 0.0014 Å |
| b | 33.2861 ± 0.0014 Å |
| c | 56.069 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 62122 ± 4 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 6 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.1435 |
| Residual factor for significantly intense reflections | 0.1059 |
| Weighted residual factors for significantly intense reflections | 0.2696 |
| Weighted residual factors for all reflections included in the refinement | 0.3191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231910 (current) | 2019-11-23 | cif/ Adding structures of 4346659 via cif-deposit CGI script. |
4346659.cif |
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Users of the data should acknowledge the original authors of the
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