Information card for entry 7021083

Structure parameters

• Formula: C34 H36 Cl4 F32 Mn12 O52
• Calculated formula: C32 H16 F32 Mn12 O52
• Title of publication: Single molecule magnets with m-fluorobenzoate and difluoromethylacetate as polar ligands.
• Authors of publication: Hoshino, Norihisa; Shiga, Takuya; Oshio, Hiroki; Akutagawa, Tomoyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4377 - 4385
• a: 17.7242 ± 0.0012 Å
• b: 17.7242 ± 0.0012 Å
• c: 12.6228 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3965.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No