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Information card for entry 1549033
Preview
| Coordinates | 1549033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H5 Br3 N2 Pb |
|---|---|
| Calculated formula | C Br3 N1.98 Pb |
| Title of publication | Critical Comparison of FAPbX3 and MAPbX3 (X = Br and Cl): How Do They Differ? |
| Authors of publication | Govinda, Sharada; Kore, Bhushan P.; Swain, Diptikanta; Hossain, Akmal; De, Chandan; Guru Row, Tayur N.; Sarma, D. D. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2018 |
| a | 8.347 ± 0.0005 Å |
| b | 8.347 ± 0.0005 Å |
| c | 10.218 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 616.53 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206869 (current) | 2018-03-10 | cif/ Adding structures of 1549033 via cif-deposit CGI script. |
1549033.cif |
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Users of the data should acknowledge the original authors of the
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