Information card for entry 2238514

Structure parameters

• Chemical name: Bis(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(1-methylimidazole)di-μ-propionato-pentamanganese(III)manganese(II)‒dimethylformamide‒methanol (1/0.24/1.36)
• Formula: C65.264 H74.971 Mn6 N15.417 O22.43
• Calculated formula: C65.264 H74.971 Mn6 N15.417 O22.43
• Title of publication: Bis(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(1-methylimidazole)di-μ-propionato-pentamanganese(III)manganese(II)‒dimethylformamide‒methanol (1/0.24/1.36)
• Authors of publication: Lutter, Jacob C.; Kampf, Jeff W.; Zeller, Matthias; Zaleski, Curtis M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m483 - m484
• a: 12.6138 ± 0.0002 Å
• b: 14.8745 ± 0.0003 Å
• c: 20.7862 ± 0.0015 Å
• α: 97.909 ± 0.007°
• β: 105.209 ± 0.007°
• γ: 99.034 ± 0.007°
• Cell volume: 3650.7 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes