Information card for entry 4088629

Structure parameters

• Formula: C29 H29 Br2 Fe N O P2
• Calculated formula: C29 H29 Br2 Fe N O P2
• Title of publication: Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes
• Authors of publication: Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1931
• a: 16.489 ± 0.003 Å
• b: 17.02 ± 0.003 Å
• c: 19.647 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5513.8 ± 1.8 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.0911
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No