Information card for entry 4314548

Structure parameters

• Formula: C96 H214 F84 Mn12 N20 O49 P14
• Calculated formula: C96 H214 F84 Mn12 N20 O49 P14
• Title of publication: Electronic and Magnetic Study of Polycationic Mn12 Single-Molecule Magnets with a Ground Spin State S = 11
• Authors of publication: Juan Modesto Clemente-Juan; Eugenio Coronado; Alicia Forment-Aliaga; Alejandro Gaita-Ariño; Carlos Giménez-Saiz; Francisco M. Romero; Wolfgang Wernsdorfer; R. Biagi; V. Corradini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 386 - 396
• a: 20.787 ± 0.0004 Å
• b: 18.319 ± 0.0004 Å
• c: 31.128 ± 0.0007 Å
• α: 90°
• β: 117.073 ± 0.001°
• γ: 90°
• Cell volume: 10554.6 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2284
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No