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Information card for entry 7246223
Preview
Coordinates | 7246223.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H22 Cd Cl4 F2 N2 |
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Calculated formula | C16 H22 Cd Cl4 F2 N2 |
Title of publication | Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4] |
Authors of publication | Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 8 |
Pages of publication | 1270 - 1275 |
a | 20.0721 ± 0.0017 Å |
b | 7.3523 ± 0.0006 Å |
c | 7.4427 ± 0.0005 Å |
α | 90° |
β | 94.274 ± 0.007° |
γ | 90° |
Cell volume | 1095.31 ± 0.15 Å3 |
Cell temperature | 293 ± 0.1 K |
Ambient diffraction temperature | 293 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1133 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
Diffraction radiation probe | x-ray |
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/7246223.html
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structural data.