Crystallography Open Database

Information card for entry 4330528

Preview

Coordinates	4330528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81.5 H102 Co5 N4 O24.5
Calculated formula	C81.5 H102 Co5 N4 O24.5
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	16.093 ± 0.002 Å
b	18.429 ± 0.0014 Å
c	29.824 ± 0.004 Å
α	90°
β	91.442 ± 0.011°
γ	90°
Cell volume	8842.3 ± 1.8 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2023
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4330528.cif
79799	2013-04-05	cif/ Adding structures of 4330528 via cif-deposit CGI script.	4330528.cif