Information card for entry 4085296

Structure parameters

• Chemical name: bromo((4-cyanophenyl)ethynyl)bis(triphenylphosphine)palladium
• Formula: C52 H42 Br N P2 Pd
• Calculated formula: C52 H42 Br N P2 Pd
• Title of publication: Palladium End-Capped Polyynes via Oxidative Addition of 1-Haloalkynes to Pd(PPh3)4
• Authors of publication: Gulia, Nurbey; Pigulski, Bartłomiej; Szafert, Sławomir
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 673
• a: 9.566 ± 0.005 Å
• b: 10.47 ± 0.005 Å
• c: 22.72 ± 0.01 Å
• α: 88.16 ± 0.03°
• β: 82.35 ± 0.03°
• γ: 71.64 ± 0.04°
• Cell volume: 2140.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No