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Information card for entry 1566082
Preview
| Coordinates | 1566082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21.99 H35.67 Co N10 |
|---|---|
| Calculated formula | C21.9867 H35.665 Co N10.0016 |
| Title of publication | Principles of Melting in Hybrid Organic-Inorganic Perovskite and Polymorphic ABX3 Structures |
| Authors of publication | Shaw, Bikash Kumar; Bennett, Thomas Douglas; Castillo Blas, Celia; Thorne, Michael Francis; Gómez, María Laura Ríos; Forrest, Thomas; Keen, David A.; Diaz-Lopez, Maria; Chater, Philip A.; McHugh, Lauren Nicole |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 15.7659 ± 0.0006 Å |
| b | 15.7712 ± 0.0005 Å |
| c | 21.2815 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5291.6 ± 0.3 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.1507 |
| Residual factor for significantly intense reflections | 0.1093 |
| Weighted residual factors for significantly intense reflections | 0.2309 |
| Weighted residual factors for all reflections included in the refinement | 0.2542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272167 (current) | 2022-01-21 | cif/ Adding structures of 1566080, 1566081, 1566082, 1566083 via cif-deposit CGI script. |
1566082.cif |
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Users of the data should acknowledge the original authors of the
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