Information card for entry 4085300

Structure parameters

• Chemical name: bromo((4-benzoylphenyl)butadiynyl)bis(triphenylphosphine)palladium
• Formula: C51 H38 Br Cl4 N P2 Pd
• Calculated formula: C51 H38 Br Cl4 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: 11.738 ± 0.008 Å
• b: 27.377 ± 0.012 Å
• c: 17.575 ± 0.007 Å
• α: 90°
• β: 124.46 ± 0.04°
• γ: 90°
• Cell volume: 4657 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No