Information card for entry 4326578

Structure parameters

• Formula: C56 H103 Gd2 Mn4 N9 O28
• Calculated formula: C55 H103 Gd2 Mn4 N8.5 O28
• Title of publication: Family of Double-Cubane Mn4Ln2 (Ln = Gd, Tb, Dy, Ho) and Mn4Y2 Complexes: A New Mn4Tb2 Single-Molecule Magnet
• Authors of publication: Arpita Saha; Michael Thompson; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10476 - 10485
• a: 24.733 ± 0.004 Å
• b: 13.81 ± 0.002 Å
• c: 22.262 ± 0.004 Å
• α: 90°
• β: 104.651 ± 0.009°
• γ: 90°
• Cell volume: 7357 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No