Crystallography Open Database

Information card for entry 8000244

Preview

Coordinates	8000244.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	15.8386 ± 0.0004 Å
b	15.8386 ± 0.0004 Å
c	22.839 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	4961.8 ± 0.2 Å³
Cell temperature	338 ± 2 K
Ambient diffraction temperature	338 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1497
Residual factor for significantly intense reflections	0.1345
Weighted residual factors for significantly intense reflections	0.3039
Weighted residual factors for all reflections included in the refinement	0.3124
Goodness-of-fit parameter for all reflections included in the refinement	1.67
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	8000244.cif
196163	2017-05-05	cif/ Updating files of 8000243, 8000244, 8000245 Original log message: Adding full bibliography for 8000243--8000245.cif.	8000244.cif
195728	2017-04-25	cif/ Adding structures of 8000244 via cif-deposit CGI script.	8000244.cif