Information card for entry 4003947
Formula |
C14 H28 I4 N2 O4 Pb |
Calculated formula |
C14 H28 I4 N2 O4 Pb |
Title of publication |
Revealing the Role of Bifunctional Molecules in Crystallizing Methylammonium Lead Iodide through Geometric Isomers |
Authors of publication |
Zhang, Wenhao; Zhang, Weihua; Wang, Kai; Chu, Yanmeng; Du, Jiankang; Mei, Anyi; Rong, Yaoguang; Hu, Yue; Han, Hongwei |
Journal of publication |
Chemistry of Materials |
Year of publication |
2021 |
a |
35.928 ± 0.0017 Å |
b |
9.1976 ± 0.0004 Å |
c |
8.6505 ± 0.0004 Å |
α |
90° |
β |
102.027 ± 0.004° |
γ |
90° |
Cell volume |
2795.8 ± 0.2 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
6 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0426 |
Residual factor for significantly intense reflections |
0.0363 |
Weighted residual factors for significantly intense reflections |
0.101 |
Weighted residual factors for all reflections included in the refinement |
0.1034 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.12 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/4003947.html