Information card for entry 7117384

Structure parameters

• Formula: C27 H21 Cl2 I N P2 Pd
• Calculated formula: C27 H21 Cl2 I N P2 Pd
• SMILES: [Pd]([P](N1[P+](c2ccccc2)(c2ccccc2)CCC1)(c1ccccc1)c1ccccc1)(Cl)(Cl)I
• Title of publication: Bifunctional ligands in combination with phosphines and Lewis acidic phospheniums for the carbonylative Sonogashira reaction
• Authors of publication: Chen Tan; Peng Wang; Huan Liu; Xiao-Li Zhao; Yong Lu; Ye Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10871
• a: 9.2622 ± 0.0007 Å
• b: 18.511 ± 0.0015 Å
• c: 9.5911 ± 0.0008 Å
• α: 90°
• β: 112.413 ± 0.002°
• γ: 90°
• Cell volume: 1520.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No