Crystallography Open Database

Information card for entry 1551867

Preview

Coordinates	1551867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cu2 N4 O11
Calculated formula	C24 H20 Cu2 N4 O11
SMILES	C1(=O)c2cccc3C(=O)O[Cu]([n]23)([n]2ccc(cc2)c2cc[n](cc2)[Cu]23([n]4c(C(=O)O2)cccc4C(=O)O3)[OH2])(O1)[OH2].O
Title of publication	Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure
Authors of publication	Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip
Journal of publication	Catalysis Science & Technology
Year of publication	2019
a	14.695 ± 0.003 Å
b	5.165 ± 0.001 Å
c	31.873 ± 0.006 Å
α	90°
β	94.29 ± 0.03°
γ	90°
Cell volume	2412.4 ± 0.8 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	5
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	0.0387
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216502 (current)	2019-06-25	cif/ Adding structures of 1551866, 1551867, 1551868, 1551869, 1551870, 1551871 via cif-deposit CGI script.	1551867.cif