Information card for entry 4309192

Structure parameters

• Formula: C30 H36 Cl4 Mn4 N15 O26.5
• Calculated formula: C30 H36 Cl4.02 Mn4 N15 O26.58
• Title of publication: Tuning Tetranuclear Manganese-Oxo Core Electronic Properties: Adamantane-Shaped Complexes Synthesized by Ligand Exchange
• Authors of publication: Christopher E. Dubé; Sumitra Mukhopadhyay; Peter J. Bonitatebus; Richard J. Staples; William H. Armstrong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5161 - 5175
• a: 23.934 ± 0.006 Å
• b: 23.934 ± 0.006 Å
• c: 23.934 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13710 ± 6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No