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Information card for entry 1557022
Preview
| Coordinates | 1557022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H18 Br5 N3 Pb S2 |
|---|---|
| Calculated formula | C4 H14 Br5 N3 Pb S2 |
| Title of publication | Ligand Structure Directed Dimensionality Reduction (2D →1D) in Lead Bromide Perovskite |
| Authors of publication | Bakthavatsalam, Rangarajan; Haris, Muhammed P. U.; Shaikh, Samir R.; Lohar, Amruta; Mohanty, Ashutosh; Moghe, Dhanashree; Sharma, Shivani; Biswas, Chinmoy; Raavi, Sai Santhosh Kumar; Gonnade, Rajesh G.; Kundu, Janardan |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2020 |
| a | 10.066 ± 0.0013 Å |
| b | 8.4068 ± 0.0011 Å |
| c | 10.9787 ± 0.0014 Å |
| α | 90° |
| β | 104.155 ± 0.004° |
| γ | 90° |
| Cell volume | 900.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0717 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.2101 |
| Weighted residual factors for all reflections included in the refinement | 0.2163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246789 (current) | 2020-01-14 | cif/ Adding structures of 1557022 via cif-deposit CGI script. |
1557022.cif |
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