Crystallography Open Database

Information card for entry 7223568

Preview

Coordinates	7223568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H81 Cd4 Cl N18 O27
Calculated formula	C67 H79 Cd4 Cl N18 O27
Title of publication	Syntheses, structures and luminescence of a series of coordination polymers constructed with 4-substituted 1,2,4-triazole and biscarboxylate co-ligands
Authors of publication	Han, Shan-Shan; Shi, Lu-Lu; Li, Ke; Zhao, Shan; Li, Bao-Long; Wu, Bing
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	129
Pages of publication	107166
a	24.5296 ± 0.0006 Å
b	19.2262 ± 0.0006 Å
c	16.5962 ± 0.0004 Å
α	90°
β	94.361 ± 0.003°
γ	90°
Cell volume	7804.3 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0664
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1423
Weighted residual factors for all reflections included in the refinement	0.1532
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
171628 (current)	2015-12-19	cif/ Adding structures of 7223565, 7223566, 7223567, 7223568, 7223569, 7223570, 7223571, 7223572 via cif-deposit CGI script.	7223568.cif