Crystallography Open Database

Information card for entry 4310435

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Coordinates	4310435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H120 Mg5.04 Mn0.96 N12 O24
Calculated formula	C59.968 H120 Mg5.02 Mn0.9672 N12 O24
Title of publication	EPR and Magnetic Properties of Heteronuclear MnnMg6-n(O2CNEt2)12: Impact of Structural Distortions on Mn(II) in Weak Ligand Fields
Authors of publication	M. Tyler Caudle; Charles K. Mobley; Laura M. Bafaro; Russell LoBrutto; Gordon T. Yee; Thomas L. Groy
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	506 - 514
a	20.6773 ± 0.0012 Å
b	25.2183 ± 0.0014 Å
c	16.5171 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8612.8 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1288
Goodness-of-fit parameter for all reflections included in the refinement	0.839
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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