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Information card for entry 7123701
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| Coordinates | 7123701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H10 Cd F N3 P S3 |
|---|---|
| Calculated formula | C7 H11 Cd F N3 P S3 |
| Title of publication | H/F substituted perovskite compounds with above-room-temperature ferroelasticity: [(CH3)4P][Cd(SCN)3] and [(CH3)3PCH2F][Cd(SCN)3] |
| Authors of publication | Cao, Ying-jie; Zhou, Lin; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 10.3487 ± 0.0004 Å |
| b | 13.2129 ± 0.0004 Å |
| c | 10.7451 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1469.25 ± 0.09 Å3 |
| Cell temperature | 333 K |
| Ambient diffraction temperature | 333 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P m c n |
| Hall space group symbol | -P 2n 2a |
| Residual factor for all reflections | 0.1137 |
| Residual factor for significantly intense reflections | 0.1007 |
| Weighted residual factors for significantly intense reflections | 0.3843 |
| Weighted residual factors for all reflections included in the refinement | 0.4099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.821 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216478 (current) | 2019-06-22 | cif/ Adding structures of 7123698, 7123699, 7123700, 7123701 via cif-deposit CGI script. |
7123701.cif |
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