Crystallography Open Database

Information card for entry 4347213

Preview

Coordinates	4347213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 Cl Co F6 N2 P5 S2
Calculated formula	C62 H54 Cl Co F6 N2 P5 S2
Title of publication	Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.
Authors of publication	Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	9
Pages of publication	4183 - 4198
a	26.7271 ± 0.0003 Å
b	18.359 ± 0.0002 Å
c	28.2564 ± 0.0003 Å
α	90°
β	105.792 ± 0.001°
γ	90°
Cell volume	13341.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0808
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.2064
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
232225 (current)	2019-11-23	cif/ Adding structures of 4347210, 4347211, 4347212, 4347213, 4347214, 4347215, 4347216 via cif-deposit CGI script.	4347213.cif