Crystallography Open Database

Information card for entry 7028876

Preview

Coordinates	7028876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H76 Cu1.5 F6 N3 O3 Sb
Calculated formula	C61 H76 Cu1.5 F6 N3 O3 Sb
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	33.657 ± 0.003 Å
b	17.489 ± 0.001 Å
c	19.991 ± 0.002 Å
α	90°
β	96.718 ± 0.003°
γ	90°
Cell volume	11686.5 ± 1.7 Å³
Cell temperature	133.2 K
Ambient diffraction temperature	133.2 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 significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	0.561
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7028876.cif
105451	2014-03-12	cif/ Adding structures of 7028876, 7028877 via cif-deposit CGI script.	7028876.cif