Information card for entry 7124014

Structure parameters

• Formula: C52 H49 N O4 P2 Pd
• Calculated formula: C52 H49 N O4 P2 Pd
• Title of publication: Tandem double hydrophosphination of α,β,γ,δ-unsaturated-1,3-indandiones: diphosphine synthesis, mechanistic investigations and coordination chemistry.
• Authors of publication: Balázs, László B; Khalikuzzaman, Jasmina B.; Csókás, Dániel; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.8394 ± 0.0011 Å
• b: 20.038 ± 0.003 Å
• c: 22.336 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4403.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No