Crystallography Open Database

Information card for entry 4081048

Preview

Coordinates	4081048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C182 H48 Cl4 Co2 N2 P2
Calculated formula	C182.003 H48 Cl4 Co2 N2 P2
Title of publication	Magnetic Coupling in the Fullerene Dimer {Co(Ph3P)(C6H5CN)}2(μ2-η2:η2-C60)2with Two Zerovalent Cobalt Atoms as Bridges
Authors of publication	Konarev, Dmitri V.; Troyanov, Sergey I.; Nakano, Yoshiaki; Ustimenko, Ksenya A.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4038
a	13.4451 ± 0.0007 Å
b	17.6859 ± 0.0009 Å
c	23.002 ± 0.001 Å
α	92.993 ± 0.002°
β	103.474 ± 0.002°
γ	92.475 ± 0.003°
Cell volume	5303.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0569
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.137
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.87933 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178699 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/10.	4081048.cif
87979	2013-08-27	cif/ Adding structures of 4081048 via cif-deposit CGI script.	4081048.cif