Information card for entry 1572509

Structure parameters

• Chemical name: carbonyl-hydrido-(bis(2-(diphenylphosphino)ethyl)amine)-(N-benzylformamide)-ruthenium N-benzylformamide
• Formula: C45 H47 N3 O3 P2 Ru
• Calculated formula: C45 H47 N3 O3 P2 Ru
• Title of publication: Exploiting Decarbonylation and Dehydrogenation of Formamides for the Synthesis of Ureas, Polyureas, and Poly(urea-urethanes)
• Authors of publication: Luk, James; Goodfellow, Alister S.; More, Nachiket; Buehl, Michael; Kumar, Amit
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 10.3385 ± 0.0002 Å
• b: 12.963 ± 0.0002 Å
• c: 15.3995 ± 0.0004 Å
• α: 85.247 ± 0.002°
• β: 80.723 ± 0.002°
• γ: 85.758 ± 0.001°
• Cell volume: 2025.95 ± 0.07 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No