Information card for entry 1548763

Structure parameters

• Formula: C69 H55 Mn3 N8 O15 Sr
• Calculated formula: C69 H55 Mn3 N8 O15 Sr
• Title of publication: Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals
• Authors of publication: Emily Y. Tsui; Theodor Agapie
• Journal of publication: Proceedings of the National Academy of Sciences of the United States of America
• Year of publication: 2013
• Journal volume: 110
• Pages of publication: 10084 - 10088
• a: 14.4394 ± 0.0009 Å
• b: 14.5514 ± 0.0009 Å
• c: 18.0485 ± 0.0011 Å
• α: 80.763 ± 0.003°
• β: 71.236 ± 0.003°
• γ: 73.47 ± 0.003°
• Cell volume: 3432.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No