Information card for entry 4067867

Structure parameters

• Formula: C76 H74 N2 O8 P3 Pd2
• Calculated formula: C76 H74 N2 O8 P4 Pd2
• Title of publication: Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic, Kinetic, and Thermodynamic Properties of Bis(triphenylphosphine)palladium(0) Olefin Complexes
• Authors of publication: Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 2
• Pages of publication: 588
• a: 12.19 ± 0.004 Å
• b: 12.59 ± 0.002 Å
• c: 13.333 ± 0.003 Å
• α: 67.93 ± 0.005°
• β: 76.261 ± 0.012°
• γ: 61.17 ± 0.01°
• Cell volume: 1657.3 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No