Information card for entry 4305158

Structure parameters

• Formula: C56 H93 Mn4 N3 O20 P0
• Calculated formula: C40 H57 Mn4 N2 O20
• SMILES: [Mn]1234([O]5[Mn]67([O]=C(C(C)C)O[Mn]895([O]6[Mn]5(OC(=O)c6[n]5cccc6)([O]=C(O9)C(C)C)(OC(=[O]8)C(C)C)[O]=C(O7)C(C)C)OC(=[O]2)C(C)C)([O]=C(O1)C(C)C)OC(=[O]3)C(C)C)OC(=O)c1[n]4cccc1
• 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: 12.617 ± 0.012 Å
• b: 13.145 ± 0.012 Å
• c: 21.89 ± 0.02 Å
• α: 89.67 ± 0.02°
• β: 86.989 ± 0.015°
• γ: 85.51 ± 0.02°
• Cell volume: 3614 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No