Information card for entry 7701027

Structure parameters

• Formula: C21 H36 Mn N2 O2 P
• Calculated formula: C21 H36 Mn N2 O2 P
• Title of publication: CO₂ activation by manganese pincer complexes through different modes of metal-ligand cooperation.
• Authors of publication: Kumar, Amit; Daw, Prosenjit; Espinosa-Jalapa, Noel Angel; Leitus, Gregory; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 39
• Pages of publication: 14580 - 14584
• a: 12.5824 ± 0.0008 Å
• b: 14.2411 ± 0.0007 Å
• c: 13.1504 ± 0.0008 Å
• α: 90°
• β: 107.519 ± 0.007°
• γ: 90°
• Cell volume: 2247.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No