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Information card for entry 4134352
Preview
Coordinates | 4134352.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H18 F2 I4 N2 Pb |
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Calculated formula | C14 H18 F2 I4 N2 Pb |
Title of publication | Control of crystal symmetry breaking with halogen substituted benzylammonium in layered hybrid metal-halide perovskites. |
Authors of publication | Schmitt, Tanja; Bourelle, Sean; Tye, Nathaniel; Soavi, Giancarlo; Bond, Andrew D.; Feldmann, Sascha; Traore, Boubacar; Katan, Claudine; Even, Jacky; Dutton, Siân E; Deschler, Felix |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
a | 8.7325 ± 0.0002 Å |
b | 9.2819 ± 0.0002 Å |
c | 27.724 ± 0.0006 Å |
α | 90° |
β | 97.7423 ± 0.0009° |
γ | 90° |
Cell volume | 2226.66 ± 0.09 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.093 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.0903 |
Weighted residual factors for all reflections included in the refinement | 0.1044 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4134352.html
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