Crystallography Open Database

Information card for entry 4130581

Preview

Coordinates	4130581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H6 I2 O2 Pb S
Calculated formula	C2 H6 I2 O2 Pb S
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	17.796 ± 0.003 Å
b	11.1352 ± 0.0017 Å
c	4.5144 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	894.6 ± 0.2 Å³
Cell temperature	99.97 ± 0.11 K
Ambient diffraction temperature	99.97 ± 0.11 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n a m
Hall space group symbol	-P 2c 2n
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240981 (current)	2019-11-25	cif/ Adding structures of 4130581 via cif-deposit CGI script.	4130581.cif