Crystallography Open Database

Information card for entry 8000246

Preview

Coordinates	8000246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H36 Br3 Cl6 N3 Sb2
Calculated formula	C15 H36 Br3 Cl6 N3 Sb2
Title of publication	Bandgap Narrowing of Lead-Free Perovskite-Type Hybrids for Visible-Light-Absorbing Ferroelectric Semiconductors.
Authors of publication	Ji, Chengmin; Sun, Zhihua; Zeb, Aurang; Liu, Sijie; Zhang, Jing; Hong, Maochun; Luo, Junhua
Journal of publication	The journal of physical chemistry letters
Year of publication	2017
Journal volume	8
Journal issue	9
Pages of publication	2012 - 2018
a	15.2807 ± 0.0007 Å
b	15.2807 ± 0.0007 Å
c	23.3345 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	4718.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.1976
Goodness-of-fit parameter for all reflections included in the refinement	1.251
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000246.cif
196036	2017-05-04	cif/ Adding structures of 8000246 via cif-deposit CGI script.	8000246.cif