Information card for entry 4088632

Structure parameters

• Formula: C28 H59 B2 N P2
• Calculated formula: C28 H59 B2 N P2
• SMILES: [P]([BH3])(C1CCCCC1)(C1CCCCC1)CCNCC[P]([BH3])(C1CCCCC1)C1CCCCC1
• 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: 6.4856 ± 0.0008 Å
• b: 15.051 ± 0.004 Å
• c: 17.126 ± 0.004 Å
• α: 68.713 ± 0.018°
• β: 89.288 ± 0.016°
• γ: 78.376 ± 0.015°
• Cell volume: 1522.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 0.588
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No