Information card for entry 4322910

Structure parameters

• Formula: C117 H159 Cl3 Mn7 O38
• Calculated formula: C116.96 H102 Cl3 Mn7 O37.98
• Title of publication: Structure and Magnetic Properties of a Mixed-Valence Heptanuclear Manganese Cluster
• Authors of publication: Gian Luca Abbati; Andrea Cornia; Antonio C. Fabretti; Andrea Caneschi; Dante Gatteschi
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3759 - 3766
• a: 14.439 ± 0.002 Å
• b: 14.439 ± 0.002 Å
• c: 14.439 ± 0.002 Å
• α: 86.34 ± 0.01°
• β: 86.34 ± 0.01°
• γ: 86.34 ± 0.01°
• Cell volume: 2992.6 ± 0.7 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :R
• Hall space group symbol: -P 3*
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.188
• Weighted residual factors for significantly intense reflections: 0.1782
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No