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Information card for entry 7247811
Preview
Coordinates | 7247811.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C4 H16 Bi Br1.15 Cl3.85 N2 |
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Calculated formula | C4 H16 Bi Br1.149 Cl3.851 N2 |
Title of publication | (C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties |
Authors of publication | Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L. |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 3 |
Pages of publication | 312 - 323 |
a | 17.6291 ± 0.0003 Å |
b | 21.9787 ± 0.0004 Å |
c | 7.512 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2910.63 ± 0.08 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A e a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0418 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
289452 (current) | 2024-02-04 | cif/ Updating files of 7247803, 7247804, 7247805, 7247806, 7247807, 7247808, 7247809, 7247810, 7247811, 7247812 Original log message: Adding full bibliography for 7247803--7247812.cif. |
7247811.cif |
287949 | 2023-12-03 | cif/ Adding structures of 7247803, 7247804, 7247805, 7247806, 7247807, 7247808, 7247809, 7247810, 7247811, 7247812 via cif-deposit CGI script. |
7247811.cif |
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Users of the data should acknowledge the original authors of the
structural data.