Information card for entry 2243615

Structure parameters

• Chemical name: Di-μ-acetato-tetrakis(μ~4~-<i>N</i>,2-dioxidobenzene-1-carboximidato)hexamethanoltetramanganese(III)nickel(II) methanol disolvate monohydrate
• Formula: C40 H56 Mn4 N4 Ni O25
• Calculated formula: C40 H56 Mn4 N4 Ni O25
• Title of publication: Synthesis and crystal structure of a heterobimetallic nickel‒manganese 12-metallacrown-4 methanol disolvate monohydrate compound
• Authors of publication: Hall, Abigail J.; Zeller, Matthias; Zaleski, Curtis M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 11
• Pages of publication: 1720 - 1724
• a: 10.3647 ± 0.0007 Å
• b: 10.7781 ± 0.0008 Å
• c: 11.8303 ± 0.0008 Å
• α: 85.318 ± 0.003°
• β: 86.231 ± 0.003°
• γ: 77.583 ± 0.003°
• Cell volume: 1284.79 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes