Information card for entry 7058645

Structure parameters

• Formula: C72 H154 Cl2 Mn6 N16 O56 V8
• Calculated formula: C72 H154 Cl2 Mn6 N16 O56 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: 15.2732 ± 0.0007 Å
• b: 16.3157 ± 0.0007 Å
• c: 24.4982 ± 0.0011 Å
• α: 90°
• β: 97.457 ± 0.002°
• γ: 90°
• Cell volume: 6053.1 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No