Information card for entry 7705430

Structure parameters

• Formula: C32 H53 Cl2 Mn N6 O12
• Calculated formula: C32 H53 Cl2 Mn N6 O12
• 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: 8.8844 ± 0.0006 Å
• b: 17.8723 ± 0.0012 Å
• c: 11.6799 ± 0.0008 Å
• α: 90°
• β: 92.26 ± 0.002°
• γ: 90°
• Cell volume: 1853.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0907
• 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: No
• Has Fobs: No