Information card for entry 2241197

Structure parameters

• Chemical name: Tetraaqua(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(μ-trimethylacetato)tetramanganese(III)sodiumyttrium‒dimethylformamide‒water (1/8.04/0.62)
• Formula: C72.85 H118.75 Mn4 N12.29 Na O32.66 Y
• Calculated formula: C72.855 H118.747 Mn4 N12.285 Na O32.661 Y
• Title of publication: Crystal structure of tetraaqua(dimethylformamide)tetrakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(μ-trimethylacetato)tetramanganese(III)sodiumyttrium‒dimethylformamide‒water (1/8.04/0.62)
• Authors of publication: Travis, Jordan R.; Zeller, Matthias; Zaleski, Curtis M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1300 - 1306
• a: 14.8659 ± 0.0009 Å
• b: 17.3261 ± 0.001 Å
• c: 19.2709 ± 0.0011 Å
• α: 83.488 ± 0.003°
• β: 82.499 ± 0.003°
• γ: 72.805 ± 0.003°
• Cell volume: 4686.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes