Crystallography Open Database

Information card for entry 4333590

Preview

Coordinates	4333590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H57 F12 Fe2 N15 O12 S4
Calculated formula	C60 H54 F12 Fe2 N14 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	10.6568 ± 0.0002 Å
b	12.915 ± 0.0002 Å
c	15.01 ± 0.0003 Å
α	106.98 ± 0.001°
β	109.448 ± 0.001°
γ	97.5 ± 0.001°
Cell volume	1802.68 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1591
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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.	4333590.cif
99385	2014-01-31	cif/ Adding structures of 4333590 via cif-deposit CGI script.	4333590.cif