Information card for entry 7002052

Structure parameters

• Formula: C31 H25 Cl2 N2 P Pd
• Calculated formula: C30 Cl2 N2 P Pd
• SMILES: [Pd]1(C=P(c2c(N3c4c(N(C)C=13)cccc4)c1c(cc2)cccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• 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: 11.5754 ± 0.0009 Å
• b: 20.3835 ± 0.0017 Å
• c: 26.4657 ± 0.0019 Å
• α: 90°
• β: 90.148 ± 0.003°
• γ: 90°
• Cell volume: 6244.5 ± 0.8 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: 0.2178
• Residual factor for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections: 0.2396
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 2.8128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No