Crystallography Open Database

Information card for entry 4343889

Preview

Coordinates	4343889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H17 Br3 N2 Pb
Calculated formula	C9 H17 Br3 N2 Pb
Title of publication	ABX3-Type Organic-Inorganic Hybrid Phase Transition Material: 1-Pentyl-3-methylimidazolium Tribromoplumbate.
Authors of publication	Chen, Tianliang; Zhou, Yuelan; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Tang, Yuanyuan; Ji, Chengmin; Luo, Junhua
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	15
Pages of publication	7136 - 7138
a	9.5489 ± 0.0001 Å
b	8.009 ± 0.0001 Å
c	20.2425 ± 0.0003 Å
α	90°
β	99.979 ± 0.002°
γ	90°
Cell volume	1524.67 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4343889.cif
152798	2015-08-05	cif/ Updating files of 4343889, 4343890 Original log message: Adding full bibliography for 4343889--4343890.cif.	4343889.cif
151466	2015-07-14	cif/ Adding structures of 4343889 via cif-deposit CGI script.	4343889.cif