Information card for entry 7708509

Structure parameters

• Formula: C39 H37 Br Mn N O3 P2
• Calculated formula: C39 H37 Br Mn N O3 P2
• Title of publication: Mn(i) phosphine-amino-phosphinites: a highly modular class of pincer complexes for enantioselective transfer hydrogenation of aryl-alkyl ketones
• Authors of publication: Jayaprakash, Harikrishnan
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.5751 ± 0.0003 Å
• b: 29.5477 ± 0.001 Å
• c: 12.0766 ± 0.0004 Å
• α: 90°
• β: 108.748 ± 0.001°
• γ: 90°
• Cell volume: 3573.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No