Crystallography Open Database

Information card for entry 4333293

Preview

Coordinates	4333293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H88 Cl4 Cu6 F24 N12 O6 P4 S4
Calculated formula	C84 H88 Cl4 Cu6 F24 N12 O6 P4 S4
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	15.742 ± 0.0016 Å
b	12.0853 ± 0.0012 Å
c	15.7064 ± 0.0015 Å
α	90°
β	116.208 ± 0.002°
γ	90°
Cell volume	2680.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	9
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1051
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.1894
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4333293.cif
98909	2014-01-30	cif/ Adding structures of 4333293, 4333294, 4333295 via cif-deposit CGI script.	4333293.cif