Crystallography Open Database

Information card for entry 4109675

Preview

Coordinates	4109675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40.44 H47.33 B1.6 Co0.8 F3.2 N4.6 Na0.8 O10.21
Calculated formula	C40.4384 H45.8096 B1.6 Co0.8 F3.2 N4.6032 Na0.8 O10.208
Title of publication	Electrocatalytic Hydrogen Evolution at Low Overpotentials by Cobalt Macrocyclic Glyoxime and Tetraimine Complexes
Authors of publication	Xile Hu; Bruce S. Brunschwig; Jonas C. Peters
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8988 - 8998
a	12.444 ± 0.002 Å
b	14.709 ± 0.003 Å
c	29.884 ± 0.006 Å
α	90°
β	93.319 ± 0.005°
γ	90°
Cell volume	5460.8 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109675.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109675.cif
58452	2012-05-28	cif/ Adding structures of 4109675 via cif-deposit CGI script.	4109675.cif