Crystallography Open Database

Information card for entry 4334736

Preview

Coordinates	4334736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H112 Cl2 Co2 N6 O
Calculated formula	C80 H112 Cl2 Co2 N6 O
Title of publication	Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex
Authors of publication	Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5403 - 5417
a	13.552 ± 0.002 Å
b	17.132 ± 0.003 Å
c	19.656 ± 0.005 Å
α	102.117 ± 0.004°
β	94.45 ± 0.005°
γ	113.268 ± 0.002°
Cell volume	4033 ± 1.4 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 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	0.1089
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.2419
Weighted residual factors for all reflections included in the refinement	0.2633
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
179450 (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 4/33/47.	4334736.cif
100608	2014-02-06	cif/ Adding structures of 4334736 via cif-deposit CGI script.	4334736.cif