Information card for entry 7705376

Structure parameters

• Formula: C56.5 H56 F18 O3 P2 Pd
• Calculated formula: C56.5 H56 F18 O3 P2 Pd
• Title of publication: Air-stable Pd(0) catalyst bearing dual phosphine ligands: a detailed evaluation of air stability and catalytic property in cross-coupling reactions.
• Authors of publication: Sato, Ryota; Kanbara, Takaki; Kuwabara, Junpei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12814 - 12819
• a: 14.2183 ± 0.0011 Å
• b: 14.223 ± 0.0009 Å
• c: 15.4574 ± 0.0011 Å
• α: 102.252 ± 0.001°
• β: 92.172 ± 0.001°
• γ: 110.834 ± 0.001°
• Cell volume: 2832.9 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.048
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No