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Information card for entry 1562915
Preview
| Coordinates | 1562915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H24 F6 N2 Ti |
|---|---|
| Calculated formula | C8 H23.94 F6 N2 Ti |
| Title of publication | Centrosymmetric [N(CH3)4]2TiF6 vs. noncentrosymmetric polar [C(NH2)3]2TiF6: A hydrogen-bonding effect on the out-of-center distortion of TiF6 octahedra |
| Authors of publication | Kim, Eun-ah; Lee, Dong Woo; Ok, Kang Min |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2012 |
| Journal volume | 195 |
| Pages of publication | 149 - 154 |
| a | 7.9501 ± 0.0003 Å |
| b | 7.9501 ± 0.0003 Å |
| c | 19.8668 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1087.44 ± 0.1 Å3 |
| Cell temperature | 200 ± 0.2 K |
| Ambient diffraction temperature | 200 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.1357 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.303 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265546 (current) | 2021-05-27 | cif/ Adding structures of 1562915 via cif-deposit CGI script. |
1562915.cif |
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Users of the data should acknowledge the original authors of the
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