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Information card for entry 4126752
Preview
| Coordinates | 4126752.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [C6N2H14]Mn[H2PO2]3 |
|---|---|
| Formula | C2 H8.67 Mn0.67 N0.67 O4 P2 |
| Calculated formula | C2 H8.66667 Mn0.666667 N0.666667 O4 P2 |
| Title of publication | [Am]Mn(H2POO)3: A New Family of Hybrid Perovskites Based on the Hypophosphite Ligand. |
| Authors of publication | Wu, Yue; Shaker, Sammy; Brivio, Federico; Murugavel, Ramaswamy; Bristowe, Paul D.; Cheetham, Anthony K. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 9.886 ± 0.0005 Å |
| b | 9.886 ± 0.0005 Å |
| c | 41.171 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3484.7 ± 0.3 Å3 |
| Cell temperature | 300 ± 0.4 K |
| Ambient diffraction temperature | 300 ± 0.4 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203364 (current) | 2017-11-21 | cif/ Adding structures of 4126752 via cif-deposit CGI script. |
4126752.cif |
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