Information card for entry 7002050

Structure parameters

• Formula: C33 H29 Cl6 N2 P Pd
• Calculated formula: C33 H29 Cl6 N2 P Pd
• SMILES: [Pd]1(=C2N(c3c(cccc3)N2c2c3ccccc3ccc2[P+](c2ccccc2)(c2ccccc2)C1)C)(Cl)Cl.ClCCl.ClCCl
• Title of publication: Atropochiral (C,C)-chelating NHC-ylide ligands: synthesis and resolution of palladium(ii) complexes thereof
• Authors of publication: Abdellah, Ibrahim; Debono, Nathalie; Canac, Yves; Duhayon, Carine; Chauvin, Remi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7196
• a: 12.6431 ± 0.0004 Å
• b: 12.0659 ± 0.0004 Å
• c: 22.2303 ± 0.0008 Å
• α: 90°
• β: 91.664 ± 0.002°
• γ: 90°
• Cell volume: 3389.8 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No