Information card for entry 4105825

Structure parameters

• Chemical name: bis(mu-3-N,N'-diphenylhydrazido)N,N'diphenylhydrazidobis(mu-phenylamido) tetrapyridinetetramanganese(II)
• Formula: C83 H77 Mn4 N15
• Calculated formula: C83 H77 Mn4 N15
• SMILES: [Mn]123([N]4(c5ccccc5)[Mn]5([NH](c6ccccc6)[Mn]([N]3([N]25c2ccccc2)c2ccccc2)(N(N([Mn]([NH]1c1ccccc1)(N4c1ccccc1)[n]1ccccc1)c1ccccc1)c1ccccc1)[n]1ccccc1)[n]1ccccc1)[n]1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Synthesis of Tetranuclear, Four-Coordinate Manganese Clusters with "Pinned Butterfly" Geometry Formed by Metal-Mediated N-N Bond Cleavage in Diphenylhydrazine
• Authors of publication: Clifton R. Hamilton; Regina A. Baglia; Alexander D. Gordon; Michael J. Zdilla
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4208 - 4211
• a: 22.764 ± 0.003 Å
• b: 14.0803 ± 0.0016 Å
• c: 24.148 ± 0.003 Å
• α: 90°
• β: 109.392 ± 0.002°
• γ: 90°
• Cell volume: 7300.9 ± 1.6 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No