Information card for entry 4305065

Structure parameters

• Formula: C52 H88 Mn10 N32 O26
• Calculated formula: C44 H68 Mn10 N26 O22
• 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: 14.202 ± 0.004 Å
• b: 12.894 ± 0.004 Å
• c: 21.937 ± 0.006 Å
• α: 90°
• β: 102.575 ± 0.004°
• γ: 90°
• Cell volume: 3921 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1234
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No