Crystallography Open Database

Information card for entry 1561823

Preview

Coordinates	1561823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Br2 Cd Cl N4 O2
Calculated formula	C20 H18 Br2 Cd Cl N4 O2
Title of publication	Transition metal coordination polymers based on tetrabromoterephthalic and bis(imidazole) ligands: Syntheses, structures, topological analysis and photoluminescence properties
Authors of publication	Zhang, Xiaowei; Xing, Peiqi; Geng, Xiujuan; Sun, Daofeng; Xiao, Zhenyu; Wang, Lei
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	229
Pages of publication	49 - 61
a	14.8105 ± 0.0002 Å
b	13.94092 ± 0.00014 Å
c	11.53789 ± 0.00019 Å
α	90°
β	112.742 ± 0.0018°
γ	90°
Cell volume	2197.04 ± 0.06 Å³
Cell temperature	294.54 ± 0.1 K
Ambient diffraction temperature	294.54 ± 0.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0295
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264205 (current)	2021-04-15	cif/ Adding structures of 1561821, 1561822, 1561823, 1561824, 1561825, 1561826, 1561827, 1561828 via cif-deposit CGI script.	1561823.cif