Information card for entry 4325010

Structure parameters

• Formula: C56 H86 Cl6 Fe7 N12 O30.5
• Calculated formula: C48 H69 Cl6 Fe7 N12 O28
• Title of publication: Raising the Spin of FeIII7 Disklike Clusters: The Power of Molecular Spin Frustration
• Authors of publication: Shreya Mukherjee; Rashmi Bagai; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3849 - 3851
• a: 24.482 ± 0.002 Å
• b: 27.531 ± 0.002 Å
• c: 24.448 ± 0.002 Å
• α: 90°
• β: 107.965 ± 0.002°
• γ: 90°
• Cell volume: 15675 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.102
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No