Crystallography Open Database

Information card for entry 7237999

Preview

Coordinates	7237999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.28 Cl8 N4 Pb2 S2.72
Calculated formula	C21.28 Cl8 N4 Pb2 S2.72
Title of publication	Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites
Authors of publication	Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	38
Pages of publication	11964
a	32.397 ± 0.007 Å
b	7.7997 ± 0.0013 Å
c	7.7943 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1969.5 ± 0.6 Å³
Cell temperature	415 K
Ambient diffraction temperature	415 K
Number of distinct elements	5
Space group number	64
Hermann-Mauguin space group symbol	C m c e
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
238823 (current)	2019-11-24	cif/ Adding structures of 7237996, 7237997, 7237998, 7237999, 7238000 via cif-deposit CGI script.	7237999.cif