Information card for entry 4127352

Structure parameters

• Formula: C24.25 H38.75 K0.75 Mn0.75 N3.75 O3.25 P1.5
• Calculated formula: C24.25 H38.75 K0.75 Mn0.75 N3.75 O3.25 P1.5
• Title of publication: Mechanistic Studies of Hydride Transfer to Imines from a Highly Active and Chemoselective Manganate Catalyst.
• Authors of publication: Freitag, Frederik; Irrgang, Torsten; Kempe, Rhett
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 29
• Pages of publication: 11677 - 11685
• a: 12.84 ± 0.003 Å
• b: 45.11 ± 0.009 Å
• c: 20.49 ± 0.004 Å
• α: 90°
• β: 96.9 ± 0.03°
• γ: 90°
• Cell volume: 11782 ± 4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133.15 K
• Number of distinct elements: 7
• 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: 0.1474
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2702
• Weighted residual factors for all reflections included in the refinement: 0.328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No