Information card for entry 7701026

Structure parameters

• Formula: C51 H76 Mn2 N4 O8 P2
• Calculated formula: C51 H76 Mn2 N4 O8 P2
• 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: 18.0388 ± 0.0014 Å
• b: 10.3918 ± 0.0009 Å
• c: 14.368 ± 0.0012 Å
• α: 90°
• β: 105.838 ± 0.002°
• γ: 90°
• Cell volume: 2591.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No