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Information card for entry 7224386
Preview
| Coordinates | 7224386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H20 Cl8 P2 Sb2 |
|---|---|
| Calculated formula | C6 H20 Cl8 P2 Sb2 |
| Title of publication | Phase stability and dynamics of hybrid organic‒inorganic crystals [(CH3)3PH][SbCl4] and [(CH3)3PH][SbBr4]: a computational and NMR approach |
| Authors of publication | Wojtaś, Maciej; Bil, Andrzej; Ga̧gor, Anna; Medycki, Wojciech; Kholkin, Andrei L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 14 |
| Pages of publication | 2413 |
| a | 7.727 ± 0.0007 Å |
| b | 31.123 ± 0.002 Å |
| c | 9.4423 ± 0.0009 Å |
| α | 90° |
| β | 90.283 ± 0.007° |
| γ | 90° |
| Cell volume | 2270.7 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.546 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181616 (current) | 2016-04-05 | cif/ Updating files of 7224386, 7224387, 7224388 Original log message: Adding full bibliography for 7224386--7224388.cif. |
7224386.cif |
| 176902 | 2016-02-25 | cif/ Adding structures of 7224386, 7224387, 7224388 via cif-deposit CGI script. |
7224386.cif |
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Users of the data should acknowledge the original authors of the
structural data.