Information card for entry 7124012

Structure parameters

• Formula: C62 H61 Cl N2 O2 P2 Pd2
• Calculated formula: C62 H61 Cl N2 O2 P2 Pd2
• 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: 11.407 ± 0.0009 Å
• b: 14.9513 ± 0.0011 Å
• c: 31.156 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5313.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1164
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No