Crystallography Open Database

Information card for entry 4332217

Preview

Coordinates	4332217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cu F12 N4 O6
Calculated formula	C22 H20 Cu F12 N4 O6
Title of publication	2D and 3D Cu(hfac)2Complexes with Nitronyl Nitroxide Biradicals
Authors of publication	Tretyakov, Eugene; Fokin, Sergei; Romanenko, Galina; Ikorskii, Vladimir; Vasilevsky, Sergei; Ovcharenko, Victor
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	9
Pages of publication	3671 - 3678
a	14.9346 ± 0.0007 Å
b	14.9346 ± 0.0007 Å
c	24.8 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5531.4 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179425 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/22.	4332217.cif
98169	2014-01-29	cif/ Adding structures of 4332213, 4332214, 4332215, 4332216, 4332217, 4332218, 4332219, 4332220, 4332221, 4332222, 4332223, 4332224 via cif-deposit CGI script.	4332217.cif