Information card for entry 4084430

Structure parameters

• Common name: (L3)Rh(crotyl)
• Formula: C51 H45 Cl4 O6 P2 Rh
• Calculated formula: C51 H45 Cl4 O6 P2 Rh
• Title of publication: Synthesis and Characterization of Crotyl Intermediates in Rh-Catalyzed Hydroformylation of 1,3-Butadiene
• Authors of publication: Schmidt, Sebastian; Baráth, Eszter; Prommnitz, Tanja; Rosendahl, Tobias; Rominger, Frank; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6018
• a: 11.7727 ± 0.0014 Å
• b: 12.997 ± 0.0016 Å
• c: 16.418 ± 0.002 Å
• α: 67.793 ± 0.003°
• β: 80.861 ± 0.003°
• γ: 84.41 ± 0.003°
• Cell volume: 2294.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0913
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No