Information card for entry 4309191

Structure parameters

• Formula: C53 H88 Mn4 N8 O21
• Calculated formula: C53 H88 Mn4 N8 O21
• 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: 10.543 ± 0.002 Å
• b: 25.198 ± 0.004 Å
• c: 24.295 ± 0.004 Å
• α: 90°
• β: 90.28 ± 0.02°
• γ: 90°
• Cell volume: 6454.2 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0959
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No