Crystallography Open Database

Information card for entry 7246929

Preview

Coordinates	7246929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H34 Cl6 Mn N2
Calculated formula	C14 H34 Cl6 Mn N
Title of publication	Dielectric and optical properties of a new organic–inorganic hybrid phase transition material
Authors of publication	Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	30
Pages of publication	4284 - 4289
a	9.2031 ± 0.0009 Å
b	9.2031 ± 0.0009 Å
c	14.662 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1241.8 ± 0.2 Å³
Cell temperature	340 K
Ambient diffraction temperature	340 K
Number of distinct elements	5
Space group number	137
Hermann-Mauguin space group symbol	P 42/n m c :2
Hall space group symbol	-P 4ac 2a
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.3186
Weighted residual factors for all reflections included in the refinement	0.3564
Goodness-of-fit parameter for all reflections included in the refinement	1.4
Diffraction radiation probe	x-ray
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
286116 (current)	2023-09-05	cif/ Updating files of 7246928, 7246929 Original log message: Adding full bibliography for 7246928--7246929.cif.	7246929.cif
284596	2023-06-29	cif/ Adding structures of 7246928, 7246929 via cif-deposit CGI script.	7246929.cif