Crystallography Open Database

Information card for entry 4336936

Preview

Coordinates	4336936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H37 Cl3 Co2 N10 O16
Calculated formula	C32 H36 Cl3 Co2 N10 O16
Title of publication	"Criss-Crossed" Dinucleating Behavior of an N4 Schiff Base Ligand: Formation of a μ-OH,μ-O2 Dicobalt(III) Core via O2 Activation
Authors of publication	Yae In Cho; David M. Joseph; Michael J. Rose
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13298 - 13300
a	10.4878 ± 0.0012 Å
b	13.613 ± 0.002 Å
c	16.729 ± 0.002 Å
α	75.92 ± 0.003°
β	73.078 ± 0.002°
γ	68.687 ± 0.002°
Cell volume	2103.2 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179472 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/69.	4336936.cif
102990	2014-02-24	cif/ Adding structures of 4336936 via cif-deposit CGI script.	4336936.cif