Crystallography Open Database

Information card for entry 4109757

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Coordinates	4109757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H80 Co2 F24 N4 O14
Calculated formula	C64 H80 Co2 F24 N4 O14
Title of publication	Field-Induced Ferrimagnetic State in a Molecule-Based Magnet Consisting of a CoIII on and a Chiral Triplet Bis(nitroxide) Radical
Authors of publication	Youhei Numata; Katsuya Inoue; Nikolai Baranov; Mohamedally Kurmoo; Koichi Kikuchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	9902 - 9909
a	10.697 ± 0.004 Å
b	11.566 ± 0.004 Å
c	17.418 ± 0.007 Å
α	81.656 ± 0.006°
β	84.628 ± 0.007°
γ	63.194 ± 0.006°
Cell volume	1902.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1881
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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