Crystallography Open Database

Information card for entry 8000245

Preview

Coordinates	8000245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H36 Br9 N3 Sb2
Calculated formula	C15 H36 Br9 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	15.9951 ± 0.0004 Å
b	15.9951 ± 0.0004 Å
c	23.1124 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	5120.9 ± 0.2 Å³
Cell temperature	335 ± 2 K
Ambient diffraction temperature	335 ± 2 K
Number of distinct elements	5
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	0.0604
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1491
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	8000245.cif
196163	2017-05-05	cif/ Updating files of 8000243, 8000244, 8000245 Original log message: Adding full bibliography for 8000243--8000245.cif.	8000245.cif
195729	2017-04-25	cif/ Adding structures of 8000245 via cif-deposit CGI script.	8000245.cif