Crystallography Open Database

Information card for entry 4120693

4120692 << 4120693 >> 4120694

Preview

Coordinates	4120693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cu N2 O3
Calculated formula	C10 H8 Cu N2 O3
Title of publication	A biomimetic copper water oxidation catalyst with low overpotential.
Authors of publication	Zhang, Teng; Wang, Cheng; Liu, Shubin; Wang, Jin-Liang; Lin, Wenbin
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	1
Pages of publication	273 - 281
a	4.3886 ± 0.0001 Å
b	13.3722 ± 0.0003 Å
c	15.5729 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	913.9 ± 0.04 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120693.cif
106676	2014-03-15	cif/ Adding structures of 4120693 via cif-deposit CGI script.	4120693.cif