Information card for entry 4085298

Structure parameters

• Chemical name: bromo((4-nitrophenyl)butadiynyl)bis(triphenylphosphine)palladium
• Formula: C46 H34 Br N O2 P2 Pd
• Calculated formula: C46 H34 Br N O2 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: 9.281 ± 0.003 Å
• b: 35.018 ± 0.012 Å
• c: 12.2 ± 0.004 Å
• α: 90°
• β: 108.02 ± 0.03°
• γ: 90°
• Cell volume: 3771 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1265
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No