Information card for entry 7713055

Structure parameters

• Formula: C44 H40 Mn2 N6 O8
• Calculated formula: C44 H40 Mn2 N6 O8
• Title of publication: Manganese(III) complexes stabilized with N-heterocyclic carbene ligands for alcohol oxidation catalysis
• Authors of publication: Rigoni, Giacomo; Nylund, Pamela Viktoria Sofie; Albrecht, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.8533 ± 0.0002 Å
• b: 10.0379 ± 0.0002 Å
• c: 10.7928 ± 0.0003 Å
• α: 88.126 ± 0.002°
• β: 76.94 ± 0.002°
• γ: 74.52 ± 0.002°
• Cell volume: 1001.71 ± 0.04 ų
• Cell temperature: 230 ± 8 K
• Ambient diffraction temperature: 230 ± 8 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No