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Information card for entry 4516750
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Coordinates | 4516750.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C H6 Br3 N Pb |
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Calculated formula | C0.9999 Br3 N0.9999 Pb |
Title of publication | High-Pressure Single-Crystal Structures of 3D Lead-Halide Hybrid Perovskites and Pressure Effects on their Electronic and Optical Properties. |
Authors of publication | Jaffe, Adam; Lin, Yu; Beavers, Christine M.; Voss, Johannes; Mao, Wendy L.; Karunadasa, Hemamala I. |
Journal of publication | ACS central science |
Year of publication | 2016 |
Journal volume | 2 |
Journal issue | 4 |
Pages of publication | 201 - 209 |
a | 11.5 ± 0.005 Å |
b | 11.5 ± 0.005 Å |
c | 11.5 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1520.9 ± 1.1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 204 |
Hermann-Mauguin space group symbol | I m -3 |
Hall space group symbol | -I 2 2 3 |
Residual factor for all reflections | 0.0891 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.1562 |
Weighted residual factors for all reflections included in the refinement | 0.1765 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
Diffraction radiation wavelength | 0.35424 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4516750.html
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Users of the data should acknowledge the original authors of the
structural data.