Crystallography Open Database

Information card for entry 7237934

Preview

Coordinates	7237934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cu N4 O6 Se
Calculated formula	C30 H28 Cu N4 O6 Se
Title of publication	The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system
Authors of publication	Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	35
Pages of publication	11022
a	18.25 ± 0.03 Å
b	14.81 ± 0.03 Å
c	13.65 ± 0.04 Å
α	90°
β	125.12 ± 0.03°
γ	90°
Cell volume	3018 ± 12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1588
Residual factor for significantly intense reflections	0.1344
Weighted residual factors for significantly intense reflections	0.3212
Weighted residual factors for all reflections included in the refinement	0.3397
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
238759 (current)	2019-11-24	cif/ Adding structures of 7237931, 7237932, 7237933, 7237934 via cif-deposit CGI script.	7237934.cif