Crystallography Open Database

Information card for entry 4332220

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Coordinates	4332220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H92 Cu7 F84 N16 O36
Calculated formula	C124 H86 Cu7 F84 N16 O36
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	11.0531 ± 0.0006 Å
b	14.9148 ± 0.0008 Å
c	27.8636 ± 0.0015 Å
α	104.549 ± 0.001°
β	93.67 ± 0.001°
γ	90.008 ± 0.001°
Cell volume	4436.4 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1458
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	0.883
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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