Crystallography Open Database

Information card for entry 7227813

Preview

Coordinates	7227813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cd2 Cl6 N2
Calculated formula	C12 H28 Cd2 Cl6 N2
Title of publication	High temperature structural phase transition and dielectric relaxation in an organic‒inorganic hybrid compound: (4-methylpiperidinium)CdCl3
Authors of publication	Lu, Yang; Wang, Zhongxia; Chen, Hai-Peng; Ge, Jia-Zhen
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	14
Pages of publication	1896
a	6.779 ± 0.006 Å
b	7.648 ± 0.006 Å
c	20.8582 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1081.4 ± 1.3 Å³
Cell temperature	393 ± 2 K
Ambient diffraction temperature	393 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1718
Residual factor for significantly intense reflections	0.1328
Weighted residual factors for significantly intense reflections	0.1772
Weighted residual factors for all reflections included in the refinement	0.1945
Goodness-of-fit parameter for all reflections included in the refinement	1.319
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
195036 (current)	2017-04-05	cif/ Updating files of 7227812, 7227813 Original log message: Adding full bibliography for 7227812--7227813.cif.	7227813.cif
194073	2017-03-08	cif/ Adding structures of 7227812, 7227813 via cif-deposit CGI script.	7227813.cif