Crystallography Open Database

Information card for entry 7028877

Preview

Coordinates	7028877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H13 Cl2 Cu F6 N2 O4 Sb
Calculated formula	C31 H36 Cl2 Cu F6 N2 O4 Sb
SMILES	[Sb](F)(F)(F)(F)([F-])F.[Cu]123[N](c4c([N]3=Cc3c(O1)c(cc(OC)c3)C(C)(C)C)cccc4)=Cc1c(O2)c(cc(OC)c1)C(C)(C)C.ClCCl
Title of publication	Characterization of one-electron oxidized copper(II)-salophen-type complexes; effects of electronic and geometrical structures on reactivities.
Authors of publication	Asami, Kazutaka; Takashina, Akiko; Kobayashi, Misato; Iwatsuki, Satoshi; Yajima, Tatsuo; Kochem, Amélie; van Gastel, Maurice; Tani, Fumito; Kohzuma, Takamitsu; Thomas, Fabrice; Shimazaki, Yuichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	5
Pages of publication	2283 - 2293
a	10.8962 ± 0.0017 Å
b	12.008 ± 0.002 Å
c	13.632 ± 0.003 Å
α	89.71 ± 0.004°
β	81.617 ± 0.004°
γ	84.038 ± 0.004°
Cell volume	1754.9 ± 0.6 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.2547
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179994 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/88.	7028877.cif
105451	2014-03-12	cif/ Adding structures of 7028876, 7028877 via cif-deposit CGI script.	7028877.cif