Crystallography Open Database

Information card for entry 4130584

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Coordinates	4130584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 I2 N O Pb
Calculated formula	C3 H7 I2 N O Pb
Title of publication	Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.
Authors of publication	Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	31
Pages of publication	9919 - 9926
a	4.53212 ± 0.00012 Å
b	18.2385 ± 0.0005 Å
c	11.5566 ± 0.0004 Å
α	90°
β	92.661 ± 0.003°
γ	90°
Cell volume	954.23 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0421
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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