Information card for entry 7115273

Structure parameters

• Common name: Twisted Basket Mn4
• Formula: C88 H84 Mn4 N16
• Calculated formula: C68 H64 Mn4 N12
• Title of publication: Preparation of a 'twisted basket'Mn4N8 cluster: a two-hydrogen-atom reduced analogue of the Mn4N8 pinned butterfly
• Authors of publication: Michael R. Gau; Clifton R. Hamilton; Michael J. Zdilla
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7780
• a: 18.1979 ± 0.0016 Å
• b: 22.599 ± 0.002 Å
• c: 40.496 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16654 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No