Information card for entry 4305157

Structure parameters

• Formula: C45 H71 Mn4 N3 O20.5
• Calculated formula: C45 H71 Mn4 N3 O20.5
• Title of publication: Synthesis and Characterization of a Family of Penta- and Tetra-Manganese(III) Complexes Derived from an Assembly System Containing tert-Butylphosphonic Acid
• Authors of publication: Mei Wang; Cheng-Bing Ma; Da-Qiang Yuan; Hui-Sheng Wang; Chang-Neng Chen; Qiu-Tian Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5580 - 5590
• a: 12.575 ± 0.005 Å
• b: 12.724 ± 0.005 Å
• c: 19.455 ± 0.008 Å
• α: 78.848 ± 0.009°
• β: 84.45 ± 0.008°
• γ: 83.593 ± 0.011°
• Cell volume: 3026 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No