Crystallography Open Database

Information card for entry 4325042

Preview

Coordinates	4325042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H40 Cl3 Co Cu N4 O7 Zn2
Calculated formula	C18 H40 Cl3 Co Cu N4 O7 Zn2
Title of publication	Heterometallic Cu/Co and Cu/Co/Zn Complexes Bearing Rare Asymmetric Tetranuclear Cores: Synthesis, Structures, and Magnetic and Catalytic Properties Toward the Peroxidative Oxidation of Cycloalkanes
Authors of publication	Dmytro S. Nesterov; Volodymyr N. Kokozay; Julia Jezierska; Oleksiy V. Pavlyuk; Roman Boča; Armando J. L. Pombeiro
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4401 - 4411
a	10.2011 ± 0.001 Å
b	10.683 ± 0.001 Å
c	13.8613 ± 0.0013 Å
α	78.908 ± 0.004°
β	72.683 ± 0.004°
γ	84.576 ± 0.003°
Cell volume	1414.1 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0809
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4325042.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325042.cif
43494	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325042 via cif-deposit CGI script.	4325042.cif