Crystallography Open Database

Information card for entry 7218931

Preview

Coordinates	7218931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H6 I3 N Pb
Calculated formula	C I3 N Pb
Title of publication	Bulk crystal growth of hybrid perovskite material CH3NH3PbI3
Authors of publication	Dang, Yangyang; Liu, Yang; Sun, Youxuan; Yuan, Dongsheng; Liu, Xiaolong; Lu, Weiqun; Liu, Guangfeng; Xia, Haibing; Tao, Xutang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	665
a	8.896 ± 0.003 Å
b	8.896 ± 0.003 Å
c	12.637 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1000.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	108
Hermann-Mauguin space group symbol	I 4 c m
Hall space group symbol	I 4 -2c
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1468
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
180520 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89.	7218931.cif
133187	2015-03-06	cif/ Updating files of 7218931 Original log message: Adding full bibliography for 7218931.cif.	7218931.cif
127955	2014-11-28	cif/ Adding structures of 7218931 via cif-deposit CGI script.	7218931.cif