Information card for entry 7705433

Structure parameters

• Formula: C60 H104 Cl4 Mn2 N12 O23
• Calculated formula: C60 H104 Cl4 Mn2 N12 O23
• Title of publication: A facile biomimetic catalytic activity through hydrogen atom abstraction by the secondary coordination sphere in manganese(III) complexes.
• Authors of publication: Jana, Narayan Ch; Brandão, Paula; Frontera, Antonio; Panja, Anangamohan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 40
• Pages of publication: 14216 - 14230
• a: 12.2066 ± 0.0006 Å
• b: 13.0928 ± 0.0008 Å
• c: 13.7344 ± 0.0008 Å
• α: 62.513 ± 0.002°
• β: 83.342 ± 0.002°
• γ: 72.418 ± 0.002°
• Cell volume: 1855.55 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No