Crystallography Open Database

Information card for entry 4109674

Preview

Coordinates	4109674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 B2 Cl4 Co F4 N6 O4
Calculated formula	C34 H30 B2 Cl4 Co F4 N6 O4
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	9.846 ± 0.0004 Å
b	25.7081 ± 0.0013 Å
c	15.1519 ± 0.0006 Å
α	90°
β	91.535 ± 0.002°
γ	90°
Cell volume	3833.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.1344
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.316
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
178842 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96.	4109674.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109674.cif
58451	2012-05-28	cif/ Adding structures of 4109674 via cif-deposit CGI script.	4109674.cif