Information card for entry 4311141

Structure parameters

• Formula: C105 H127 Mn9 N71 O43
• Calculated formula: C105 H84 Mn9 N71 O43
• Title of publication: Supramolecular Mn(II) and Mn(II)/Mn(III) Grid Complexes with [Mn9(μ2-O)12] Core Structures. Structural, Magnetic, and Redox Properties and Surface Studies
• Authors of publication: Liang Zhao; Zhiqiang Xu; Hilde Grove; Victoria A. Milway; Louise N. Dawe; Tareque S. M. Abedin; Laurence K. Thompson; Timothy L. Kelly; Rosemary G. Harvey; David O. Miller; Laura Weeks; Joseph G. Shapter; Kenneth J. Pope
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3812 - 3824
• a: 18.1578 ± 0.0012 Å
• b: 18.2887 ± 0.0012 Å
• c: 26.7641 ± 0.0015 Å
• α: 105.788 ± 0.001°
• β: 101.547 ± 0.002°
• γ: 91.125 ± 0.001°
• Cell volume: 8353.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 193 ± 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 all reflections: 0.2259
• Residual factor for significantly intense reflections: 0.1342
• Weighted residual factors for significantly intense reflections: 0.3757
• Weighted residual factors for all reflections included in the refinement: 0.4293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No