Information card for entry 4330662

Structure parameters

• Formula: C247.5 H317.36 B3 Cr Mn6 N18 O23.68
• Calculated formula: C247.5 H313.115 B3 Cr Mn6 N18 O23.677
• Title of publication: Environmental Influence on the Single-Molecule Magnet Behavior of [MnIII6CrIII]3+: Molecular Symmetry versus Solid-State Effects
• Authors of publication: Veronika Hoeke; Maik Heidemeier; Erich Krickemeyer; Anja Stammler; Hartmut Bögge; Jürgen Schnack; Andrei Postnikov; Thorsten Glaser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10929 - 10954
• a: 19.9685 ± 0.0013 Å
• b: 20.4991 ± 0.0013 Å
• c: 34.441 ± 0.002 Å
• α: 74.747 ± 0.001°
• β: 84.898 ± 0.001°
• γ: 67.497 ± 0.001°
• Cell volume: 12564.6 ± 1.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No