Crystallography Open Database

Information card for entry 4130583

Preview

Coordinates	4130583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H26 I8 N2 O2 Pb3 S2
Calculated formula	C6 H24 I8 N2 O2 Pb3 S2
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	4.6212 ± 0.0006 Å
b	27.219 ± 0.007 Å
c	26.841 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3376.2 ± 1.1 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P b c 21
Hall space group symbol	P 2c -2b
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240983 (current)	2019-11-25	cif/ Adding structures of 4130583 via cif-deposit CGI script.	4130583.cif