Information card for entry 7126864

Structure parameters

• Formula: C58 H36 Cl8 Mn N5
• Calculated formula: C58 H36 Cl8 Mn N5
• Title of publication: Direct preparation of unprotected aminimides (R₃N⁺-NH^-) from natural aliphatic tertiary alkaloids (R₃N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.
• Authors of publication: Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 64
• Pages of publication: 9102 - 9105
• a: 12.6724 ± 0.0019 Å
• b: 19.811 ± 0.003 Å
• c: 20.784 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5217.9 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.2313
• Weighted residual factors for all reflections included in the refinement: 0.2327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.362
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No