Information card for entry 7226479

Structure parameters

• Formula: C80 H72 Mn2 N6 O12
• Calculated formula: C80 H72 Mn2 N6 O12
• Title of publication: A new chiral dimanganese(III) complex: synthesis, crystal structure, spectroscopic, magnetic, and catalytic properties
• Authors of publication: Andruh, Marius; Dinca, Alina Simona; Candu, Natalia; Julve, Miguel; Lloret, Francesc; Sova, Sergiu; Parvulescu, Vasile i
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.5762 ± 0.0002 Å
• b: 24.1976 ± 0.0004 Å
• c: 24.6149 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6895 ± 0.2 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No