Crystallography Open Database

Information card for entry 4306752

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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

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