Information card for entry 7030182

Structure parameters

• Formula: C32 H35 Cl8 N2 P Pd
• Calculated formula: C32 H35 Cl8 N2 P Pd
• SMILES: [Pd]1([N](=P(C[C@@H]([NH]1[C@H](C)c1ccccc1)C)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Pd]1([N](=P(C[C@H]([NH]1[C@@H](C)c1ccccc1)C)(c1ccccc1)c1ccccc1)c1ccc(cc1)C)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Palladium complexes derived from N,N-bidentate NH-iminophosphorane ligands: synthesis and use as catalysts in the Sonogashira reaction.
• Authors of publication: Alajarin, Mateo; Lopez-Leonardo, Carmen; Llamas-Lorente, Pilar; Raja, Rosalia; Bautista, Delia; Orenes, Raul-Angel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12259 - 12269
• a: 10.0275 ± 0.0006 Å
• b: 14.4426 ± 0.0016 Å
• c: 25.536 ± 0.002 Å
• α: 90°
• β: 92.837 ± 0.006°
• γ: 90°
• Cell volume: 3693.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No