Crystallography Open Database

Information card for entry 4333588

Preview

Coordinates	4333588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Cu2 F12 N10 O12 S4
Calculated formula	C52 H42 Cu2 F12 N10 O12 S4
Title of publication	Syntheses and Electronic Structure of Bimetallic Complexes Containing a Flexible Redox-Active Bridging Ligand
Authors of publication	Stacey Lindsay; Siu K. Lo; Oliver R. Maguire; Eckhard Bill; Michael R. Probert; Stephen Sproules; Corinna R. Hess
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	898 - 909
a	42.0617 ± 0.0008 Å
b	10.7977 ± 0.0002 Å
c	28.7341 ± 0.0005 Å
α	90°
β	97.139 ± 0.001°
γ	90°
Cell volume	12949 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
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	0.0686
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.173
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54188 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179438 (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 4/33/35.	4333588.cif
99383	2014-01-31	cif/ Adding structures of 4333588 via cif-deposit CGI script.	4333588.cif