Information card for entry 7712312

Structure parameters

• Formula: C60 H86 Cl4 O4 P2 Pd2
• Calculated formula: C60 H86 Cl4 O4 P2 Pd2
• Title of publication: Synthesis, characterization, and reactivity of [Pd(phosphine)(py)Cl2] (PEPPSI) and [Pd(phosphine)Cl2]2 com-plexes
• Authors of publication: Nolan, Steven P.; Voloshkin, Vladislav; Belis, Marek; Cazin, Catherine; Peng, Min; Liu, Yaxu; Van Hecke, Kristof
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.8194 ± 0.0003 Å
• b: 16.4376 ± 0.0004 Å
• c: 18.6502 ± 0.0005 Å
• α: 90°
• β: 95.314 ± 0.002°
• γ: 90°
• Cell volume: 2997.34 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No