Crystallography Open Database

Information card for entry 4332216

Preview

Coordinates	4332216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 Cu2 F24 N8 O12
Calculated formula	C44 H40 Cu2 F24 N8 O12
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	15.204 ± 0.0008 Å
b	15.204 ± 0.0008 Å
c	24.9089 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	5758 ± 0.6 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	0.893
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.	4332216.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.	4332216.cif