Information card for entry 7002049

Structure parameters

• Formula: C42 H41 F3 N3 O4 P Pd S
• Calculated formula: C42 H39 F3 N3 O4 P Pd S
• 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: 12.4645 ± 0.0004 Å
• b: 15.7229 ± 0.0004 Å
• c: 20.4721 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4012.1 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No