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Information card for entry 4348739
Preview
| Coordinates | 4348739.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H16 Cl5 N2 Sb |
|---|---|
| Calculated formula | C5 H16 Cl5 N2 Sb |
| SMILES | C(CC[NH+](C)C)[NH3+].[Cl-][Sb](Cl)(Cl)(Cl)[Cl-] |
| Title of publication | Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid. |
| Authors of publication | Zhao, Wen-Ping; Shi, Chao; Stroppa, Alessandro; Di Sante, Domenico; Cimpoesu, Fanica; Zhang, Wen |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 20 |
| Pages of publication | 10337 - 10342 |
| a | 7.6816 ± 0.0007 Å |
| b | 14.5454 ± 0.0018 Å |
| c | 13.974 ± 0.002 Å |
| α | 90° |
| β | 118.317 ± 0.013° |
| γ | 90° |
| Cell volume | 1374.5 ± 0.3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0189 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0367 |
| Weighted residual factors for all reflections included in the refinement | 0.0371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233301 (current) | 2019-11-23 | cif/ Adding structures of 4348738, 4348739 via cif-deposit CGI script. |
4348739.cif |
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