Crystallography Open Database

Information card for entry 4325040

Preview

Coordinates	4325040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15.55 H37 Cl3 Co3 Cu N3 O7.45
Calculated formula	C15.554 H37 Cl3 Co3 Cu N3 O7.446
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	16.636 ± 0.006 Å
b	8.529 ± 0.003 Å
c	18.603 ± 0.006 Å
α	90°
β	95.68 ± 0.05°
γ	90°
Cell volume	2626.6 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.1187
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0518
Weighted residual factors for all reflections included in the refinement	0.0589
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	4325040.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325040.cif
43492	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325040 via cif-deposit CGI script.	4325040.cif