Crystallography Open Database

Information card for entry 4328558

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Coordinates	4328558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 Co F12 N4 O8
Calculated formula	C56 H44 Co F12 N4 O8
Title of publication	Magnetic Mn and Co Complexes with a Large Polycyclic Aromatic Substituted Nitronylnitroxide
Authors of publication	Maria G. F. Vaz; Rafael A. Allão; Handan Akpinar; John A. Schlueter; Sauli Santos; Paul M. Lahti; Miguel A. Novak
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3138 - 3145
a	24.193 ± 0.006 Å
b	11.288 ± 0.003 Å
c	22.682 ± 0.008 Å
α	90°
β	121.781 ± 0.012°
γ	90°
Cell volume	5266 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2579
Residual factor for significantly intense reflections	0.1085
Weighted residual factors for significantly intense reflections	0.2603
Weighted residual factors for all reflections included in the refinement	0.3077
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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