Crystallography Open Database

Information card for entry 7229541

Preview

Coordinates	7229541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H24 Br4 Cd N2
Calculated formula	C10 H24 Br4 Cd N2
SMILES	[NH+]1(C)CCCC1.[Cd](Br)(Br)([Br-])[Br-].[NH+]1(CCCC1)C
Title of publication	Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals
Authors of publication	Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi
Journal of publication	RSC Advances
Year of publication	2017
Journal volume	7
Journal issue	82
Pages of publication	52024
a	12.421 ± 0.007 Å
b	13.319 ± 0.007 Å
c	24.209 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	4005 ± 4 Å³
Cell temperature	373 ± 2 K
Ambient diffraction temperature	373 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.336
Residual factor for significantly intense reflections	0.1483
Weighted residual factors for significantly intense reflections	0.2672
Weighted residual factors for all reflections included in the refinement	0.3489
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
203000 (current)	2017-11-09	cif/ Adding structures of 7229536, 7229537, 7229538, 7229539, 7229540, 7229541 via cif-deposit CGI script.	7229541.cif