Crystallography Open Database

Information card for entry 4329140

Preview

Coordinates	4329140.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1 at 100
Formula	C62 H62 Cl Co2 N4 O10 P3
Calculated formula	C61.95 H61.95 Cl Co1.99 N3.99 O10 P3
Title of publication	Syntheses and Structures of Three Complexes of Formulas [L3Co(μ2-O2P(Bn)2)3CoL'][L"], Featuring Octahedral and Tetrahedral Cobalt(II) Geometries; Variable-Temperature Magnetic Susceptibility Measurement and Analysis on [(py)3Co(μ2-O2PBn2)3Co(py)][ClO4]
Authors of publication	John S. Maass; Matthias Zeller; Tanya M. Breault; Bart M. Bartlett; Hiroshi Sakiyama; Rudy L. Luck
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4903 - 4905
a	13.526 ± 0.001 Å
b	13.526 ± 0.001 Å
c	57.341 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	9085.2 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329140.cif
78180	2013-04-01	cif/ Adding structures of 4329140 via cif-deposit CGI script.	4329140.cif