Information card for entry 7028301

Structure parameters

• Common name: Mn COmplexes
• Formula: C19 H22 Cl Mn N2 O2
• Calculated formula: C19 H22 Cl Mn N2 O2
• SMILES: c12ccccc1C[N]13CC[N]4(CCC1)Cc1ccccc1O[Mn]34(O2)Cl
• Title of publication: Tuning the olefin epoxidation by manganese(III) complexes of bisphenolate ligands: effect of Lewis basicity of ligands on reactivity.
• Authors of publication: Sankaralingam, Muniyandi; Palaniandavar, Mallayan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 538 - 550
• a: 11.8411 ± 0.0002 Å
• b: 12.6077 ± 0.0002 Å
• c: 13.0061 ± 0.0002 Å
• α: 90°
• β: 113.989 ± 0.001°
• γ: 90°
• Cell volume: 1773.95 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No