Information card for entry 7054374

Structure parameters

• Formula: C144 H126.12 Mn6 N12 O54.12
• Calculated formula: C144 H120.624 Mn6 N12 O50.114
• Title of publication: A hexanuclear manganese(ii) complex: synthesis, characterization and catalytic activity toward organic sulfide oxidation
• Authors of publication: Najafpour, Mohammad Mahdi; Amini, Mojtaba; Hołyńska, Małgorzata; Zare, Maryam; Amini, Emad
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 10
• Pages of publication: 5069
• a: 19.708 ± 0.003 Å
• b: 19.708 ± 0.003 Å
• c: 30.193 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10156 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No