Crystallography Open Database

Information card for entry 4333294

Preview

Coordinates	4333294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 Cu2 F12 N6 O2 P2 S2
Calculated formula	C42 H44 Cu2 F12 N6 O2 P2 S2
Title of publication	Copper(II) Complexes with New Polypodal Ligands Presenting Axial−Equatorial Phenoxo Bridges {2-[(Bis(2-pyridylmethyl)amino)methyl]-4-methylphenol, 2-[(Bis(2-pyridylmethyl)amino)methyl]-4-methyl-6-(methylthio)phenol}: Examples of Ferromagnetically Coupled Bi- and Trinuclear Copper(II) Complexes
Authors of publication	Manzur, Jorge; Mora, Hector; Vega, Andrés; Spodine, Evgenia; Venegas-Yazigi, Diego; Garland, María Teresa; El Fallah, M. Salah; Escuer, Albert
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6924 - 6932
a	15.0794 ± 0.0019 Å
b	24.078 ± 0.003 Å
c	14.8697 ± 0.0019 Å
α	90°
β	116.272 ± 0.002°
γ	90°
Cell volume	4841.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1039
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1946
Weighted residual factors for all reflections included in the refinement	0.2126
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179435 (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 4/33/32.	4333294.cif
98909	2014-01-30	cif/ Adding structures of 4333293, 4333294, 4333295 via cif-deposit CGI script.	4333294.cif