Information card for entry 4073388

Structure parameters

• Formula: C57 H47 Cl6 F3 N O3 P2 Pd S
• Calculated formula: C57 H47 Cl6.016 F3 N O3 P2 Pd S
• Title of publication: Conformational Changes and Anion−Cation Interactions in Palladium-Cyclometalated BINAP and Chiraphos Cationic Complexes. A Structural Study via NMR and X-ray Methods
• Authors of publication: Nama, Devendrababu; Butti, Pietro; Pregosin, Paul S.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 20
• Pages of publication: 4942
• a: 11.8308 ± 0.001 Å
• b: 12.8673 ± 0.001 Å
• c: 36.642 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5578 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No