Information card for entry 4305064

Structure parameters

• Formula: C72 H72 Mn10 N30 O16
• Calculated formula: C76.98 H72 Mn10 N30.03 O16
• Title of publication: High-Spin Mn4 and Mn10 Molecules: Large Spin Changes with Structure in Mixed-Valence MnII4MnIII6 Clusters with Azide and Alkoxide-Based Ligands
• Authors of publication: Theocharis C. Stamatatos; Katye M. Poole; Khalil A. Abboud; Wolfgang Wernsdorfer; Ted A. O'Brien; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5006 - 5021
• a: 16.3101 ± 0.0003 Å
• b: 16.3101 ± 0.0003 Å
• c: 16.3101 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4338.8 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No