Crystallography Open Database

Information card for entry 4330532

Preview

Coordinates	4330532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63.5 H78.5 Cu4 N4 O17.75
Calculated formula	C63.499 H73.997 Cu4 N4 O17.749
Title of publication	Employment of a New Tripodal Ligand for the Synthesis of Cobalt(II/III), Nickel(II), and Copper(II) Clusters: Magnetic, Optical, and Thermal Properties
Authors of publication	Angelos B. Canaj; Demetrios I. Tzimopoulos; Aggelos Philippidis; George E. Kostakis; Constantinos J. Milios
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10461 - 10470
a	19.808 ± 0.009 Å
b	26.728 ± 0.009 Å
c	13.601 ± 0.007 Å
α	90°
β	93.89 ± 0.04°
γ	90°
Cell volume	7184 ± 6 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1968
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.182
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
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.	4330532.cif
79803	2013-04-05	cif/ Adding structures of 4330532 via cif-deposit CGI script.	4330532.cif