Crystallography Open Database

Information card for entry 4130585

Preview

Coordinates	4130585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H12 I2 O2 Pb S2
Calculated formula	C4 H12 I2 O2 Pb S2
SMILES	CS(C)=[O][Pb](I)(I)[O]=S(C)C
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	13.6978 ± 0.0004 Å
b	10.8575 ± 0.0004 Å
c	8.7607 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1302.93 ± 0.08 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240985 (current)	2019-11-25	cif/ Adding structures of 4130585 via cif-deposit CGI script.	4130585.cif