Crystallography Open Database

Information card for entry 4309279

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Coordinates	4309279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C162 H80 F80 Mn12 N2 O48
Calculated formula	C162.5 H59.5 F80 Mn12 N2 O48
Title of publication	Single-Molecule Magnets: Structural Characterization, Magnetic Properties, and 19F NMR Spectroscopy of a Mn12 Family Spanning Three Oxidation Levels
Authors of publication	Nicole E. Chakov; Mònica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5304 - 5321
a	21.7892 ± 0.0015 Å
b	27.0937 ± 0.0019 Å
c	31.623 ± 0.002 Å
α	90°
β	91.64 ± 0.002°
γ	90°
Cell volume	18661 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.2051
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1732
Goodness-of-fit parameter for all reflections included in the refinement	0.868
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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