Information card for entry 7110330

Structure parameters

• Formula: C32 H72 Mn4 N8
• Calculated formula: C32 H72 Mn4 N8
• Title of publication: Formation of the tetranuclear, tetrakis-terminal-imido Mn4IV(NtBu)8 cubane cluster by four-electron reductive elimination of tBuN[double bond, length as m-dash]NtBu. The role of the s-block ion in stabilization of high-oxidation state intermediates
• Authors of publication: Shivaiah Vaddypally; Sandeep K. Kondaveeti; John H. Roudebush; Robert J. Cava; Michael J. Zdilla
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1061
• a: 16.636 ± 0.002 Å
• b: 12.5912 ± 0.0018 Å
• c: 19.216 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4025.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No