Crystallography Open Database

Information card for entry 4509935

Preview

Coordinates	4509935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H42 Cu2 N16 O11
Calculated formula	C56 H42 Cu2 N16 O11
Title of publication	Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting
Authors of publication	Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	2
Pages of publication	649
a	9.9488 ± 0.0008 Å
b	23.117 ± 0.002 Å
c	11.8918 ± 0.0011 Å
α	90°
β	90.287 ± 0.001°
γ	90°
Cell volume	2734.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.133
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.17
Weighted residual factors for all reflections included in the refinement	0.2105
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179635 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/99.	4509935.cif
104134	2014-03-10	cif/ Adding structures of 4509935, 4509936, 4509937 via cif-deposit CGI script.	4509935.cif