Crystallography Open Database

Information card for entry 4306752

Preview

Coordinates	4306752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 Cu F3 N4 O4 S
Calculated formula	C31 H26 Cu F3 N4 O4 S
Title of publication	H2O2-Reactivity of Copper(II) Complexes Supported by Tris[(pyridin-2-yl)methyl]amine Ligands with 6-Phenyl Substituents
Authors of publication	Atsushi Kunishita; Minoru Kubo; Hirohito Ishimaru; Takashi Ogura; Hideki Sugimoto; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	12032 - 12039
a	11.7 ± 0.008 Å
b	12.32 ± 0.009 Å
c	12.71 ± 0.01 Å
α	106.76 ± 0.02°
β	107.09 ± 0.02°
γ	112.149 ± 0.02°
Cell volume	1447.7 ± 1.9 Å³
Cell temperature	153.1 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 significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0497
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4306752.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306752.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306752.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306752.cif