Information card for entry 2238198

Structure parameters

• Chemical name: μ~3~-Acetato-μ~2~-acetato-(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylformamide‒methanol‒water (1/1/1/1/0.49)
• Formula: C69.61958 H85.3617 Mn6 N16.61958 O23.87106
• Calculated formula: C69.62 H85.362 Mn6 N16.62 O23.871
• Title of publication: μ~3~-Acetato-μ~2~-acetato-(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylformamide‒methanol‒water (1/1/1/1/0.49)
• Authors of publication: Tigyer, Benjamin R.; Zeller, Matthias; Zaleski, Curtis M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m393 - m394
• a: 12.4181 ± 0.0008 Å
• b: 17.0108 ± 0.0011 Å
• c: 20.6627 ± 0.0013 Å
• α: 102.166 ± 0.004°
• β: 96.726 ± 0.004°
• γ: 107.496 ± 0.004°
• Cell volume: 3992.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes