Crystallography Open Database

Information card for entry 4332215

Preview

Coordinates	4332215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H38 Cl2 N8 O4
Calculated formula	C25 H38 Cl2 N8 O4
SMILES	C(Cl)Cl.O=[N]1C(C)(C)C(C)(C)N(=O)=C1c1cnn(CCCCn2cc(cn2)C2=N(=O)C(C)(C)C(C)(C)[N]2=O)c1
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	11.708 ± 0.0017 Å
b	10.0758 ± 0.0014 Å
c	24.904 ± 0.004 Å
α	90°
β	98.02 ± 0.003°
γ	90°
Cell volume	2909.1 ± 0.7 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	5
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	0.0852
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1719
Weighted residual factors for all reflections included in the refinement	0.1845
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
176810 (current)	2016-02-21	cif/4 Fixing Z values and formulae	4332215.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4332215.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.	4332215.cif