Crystallography Open Database

Information card for entry 7226404

Preview

Coordinates	7226404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cd Cl4 N2
Calculated formula	C12 H28 Cd Cl4 N2
Title of publication	A perovskite-type cage compound as a temperature-triggered dielectric switchable material
Authors of publication	Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	40
Pages of publication	7671
a	27.432 ± 0.005 Å
b	8.4349 ± 0.0017 Å
c	8.0648 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1866.1 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
188090 (current)	2016-11-08	cif/ Updating files of 7226403, 7226404 Original log message: Adding full bibliography for 7226403--7226404.cif.	7226404.cif
186101	2016-09-01	cif/ Adding structures of 7226403, 7226404 via cif-deposit CGI script.	7226404.cif