Information card for entry 4083714

Structure parameters

• Formula: C26 H31 Cl N2 O2 P2 Pd
• Calculated formula: C26 H31 Cl N2 O2 P2 Pd
• SMILES: [Pd]12(Cl)([P](O)(c3cccc4ccc[n]1c34)C(C)(C)C)P(=O)(c1cccc3ccc[n]2c13)C(C)(C)C
• Title of publication: Alkyl(quinolin-8-yl)phosphine Oxides as Hemilabile Preligands for Palladium-Catalyzed Reactions
• Authors of publication: Chang, Yu-Chang; Chang, Wei-Chan; Hu, Chan-Yu; Hong, Fung-E
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140623071055007
• a: 10.1507 ± 0.0006 Å
• b: 11.9179 ± 0.0007 Å
• c: 13.5196 ± 0.0007 Å
• α: 98.833 ± 0.002°
• β: 94.998 ± 0.002°
• γ: 114.782 ± 0.002°
• Cell volume: 1446.24 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No