Crystallography Open Database

Information card for entry 4329138

Preview

Coordinates	4329138.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3
Formula	C54.5 H54.47 Cl7 Co2 N3 O9 P3
Calculated formula	C54.498 H54.47 Cl6.99 Co2 N3 O9 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	14.958 ± 0.002 Å
b	20.615 ± 0.003 Å
c	20.993 ± 0.003 Å
α	90°
β	102.314 ± 0.006°
γ	90°
Cell volume	6324.5 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0797
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1748
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
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.	4329138.cif
78178	2013-04-01	cif/ Adding structures of 4329138 via cif-deposit CGI script.	4329138.cif