Information card for entry 4328985

Structure parameters

• Formula: C93 H80 Br8 Mn4 N9 O59 Si W12
• Calculated formula: C93 H80 Br8 Mn4 N9 O59 Si W12
• Title of publication: Coulombic Aggregations of MnIIIsalen-Type Complexes and Keggin-Type Polyoxometalates: Isolation of Mn2 Single-Molecule Magnets
• Authors of publication: Yuki Sawada; Wataru Kosaka; Yoshihito Hayashi; Hitoshi Miyasaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4824 - 4832
• a: 13.782 ± 0.004 Å
• b: 15.611 ± 0.005 Å
• c: 17.204 ± 0.005 Å
• α: 77.258 ± 0.013°
• β: 71.271 ± 0.012°
• γ: 70.782 ± 0.012°
• Cell volume: 3282.7 ± 1.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No