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Information card for entry 4003865
Preview
| Coordinates | 4003865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H18 Cl0.77 F0.23 Mn N9 P |
|---|---|
| Calculated formula | C14 H18 Cl0.77 F0.23 Mn N9 P |
| Title of publication | Emergent Chirality and Nonlinear Optical Switching in a Ferroelastic Molecular Perovskite Solid Solution |
| Authors of publication | He, Lei; Shi, Ping-Ping; Zhao, Meng-Meng; Liu, Cai-Ming; Zhang, Wen; Ye, Qiong |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| Journal volume | 33 |
| Journal issue | 2 |
| Pages of publication | 799 - 805 |
| a | 10.6652 ± 0.0007 Å |
| b | 11.9991 ± 0.0008 Å |
| c | 16.053 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2054.3 ± 0.2 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1347 |
| Residual factor for significantly intense reflections | 0.1282 |
| Weighted residual factors for significantly intense reflections | 0.2785 |
| Weighted residual factors for all reflections included in the refinement | 0.2796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261430 (current) | 2021-02-04 | cif/ Adding structures of 4003865 via cif-deposit CGI script. |
4003865.cif |
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Users of the data should acknowledge the original authors of the
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