Information card for entry 2236988

Structure parameters

• Chemical name: Pentakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidato)di-μ~2~-formato- methanolpentakis(1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒ methanol‒water (1/3.36/0.65)
• Formula: C56.36 H60.76 Mn6 N15 O24.02
• Calculated formula: C56.364 H60.766 Mn6 N15 O24.019
• Title of publication: Pentakis(μ~3~-<i>N</i>,2-dioxidobenzene-1-carboximidato)di-μ~2~-formato-pentakis(1<i>H</i>-imidazole)methanolpentamanganese(III)manganese(II)‒methanol‒water (1/3.36/0.65)
• Authors of publication: Tigyer, Benjamin R.; Zeller, Matthias; Zaleski, Curtis M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1521 - m1522
• a: 13.2053 ± 0.0012 Å
• b: 24.621 ± 0.002 Å
• c: 21.491 ± 0.002 Å
• α: 90°
• β: 101.861 ± 0.001°
• γ: 90°
• Cell volume: 6838.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes