Information card for entry 4309542

Structure parameters

• Formula: C147 H168 Cl2 Mn12 N2 O50
• Calculated formula: C114.804 H88 Cl2 Mn12 O49.196
• Title of publication: [Mn12O12(OMe)2(O2CPh)16(H2O)2]2- Single-Molecule Magnets and Other Manganese Compounds from a Reductive Aggregation Procedure
• Authors of publication: Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6324 - 6338
• a: 16.3566 ± 0.001 Å
• b: 17.48 ± 0.002 Å
• c: 17.6166 ± 0.0011 Å
• α: 105.982 ± 0.002°
• β: 111.329 ± 0.002°
• γ: 108.68 ± 0.002°
• Cell volume: 3982.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1283
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No