Information card for entry 7058644

Structure parameters

• Formula: C70 H154 Mn6 N14 O52 V8
• Calculated formula: C70 H154 Mn6 N14 O52 V8
• Title of publication: Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates
• Authors of publication: Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17703 - 17710
• a: 15.1262 ± 0.0004 Å
• b: 16.2033 ± 0.0004 Å
• c: 24.7209 ± 0.0006 Å
• α: 90°
• β: 99.968 ± 0.001°
• γ: 90°
• Cell volume: 5967.5 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No