Information card for entry 7030473

Structure parameters

• Formula: C33 H31 Cl2 N3 P2 Pd
• Calculated formula: C33 H31 Cl2 N3 P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P](c2ccccc2)(c2ccccc2)CN(c2ncccc2)C[P]1(c1ccccc1)c1ccccc1.CC#N
• Title of publication: Palladium dichloride adduct of N,N-bis-(diphenylphosphanylmethyl)-2-aminopyridine: synthesis, structure and catalytic performance in the decarboxylative cross-coupling of 4-picolinic acid with aryl bromide.
• Authors of publication: He, Run-Tian; Wang, Jian-Feng; Wang, Hui-Fang; Ren, Zhi-Gang; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9786 - 9794
• a: 9.5873 ± 0.0019 Å
• b: 27.125 ± 0.005 Å
• c: 13.096 ± 0.003 Å
• α: 90°
• β: 110.38 ± 0.03°
• γ: 90°
• Cell volume: 3192.5 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No