Information card for entry 4347997

Structure parameters

• Formula: C24 H36 Cl N P2 Pd
• Calculated formula: C24 H36 Cl N P2 Pd
• SMILES: [Pd]12(Cl)[P](C(C)C)(C(C)C)c3ccccc3N2c2ccccc2[P]1(C(C)C)C(C)C
• Title of publication: Catalytic Sonogashira couplings mediated by an amido pincer complex of palladium
• Authors of publication: Hung, Yu-Ting; Chen, Ming-Tsz; Huang, Mei-Hui; Kao, Ting-Yin; Liu, Yu-Sheng; Liang, Lan-Chang
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 5
• Pages of publication: 405
• a: 12.2739 ± 0.0003 Å
• b: 10.0375 ± 0.0002 Å
• c: 20.7695 ± 0.0006 Å
• α: 90°
• β: 96.599 ± 0.001°
• γ: 90°
• Cell volume: 2541.83 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No