Information card for entry 7021084

Structure parameters

• Formula: C133 H96 Cl14 F18 Mn12 O52
• Calculated formula: C126 H66 F18 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: 17.651 ± 0.003 Å
• b: 22.259 ± 0.004 Å
• c: 22.553 ± 0.004 Å
• α: 95.463 ± 0.002°
• β: 106.341 ± 0.002°
• γ: 108.985 ± 0.002°
• Cell volume: 7868 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No