Information card for entry 4073387

Structure parameters

• Formula: C63 H50 Cl5 F3 N O3 P2 Pd S
• Calculated formula: C63 H50 Cl5 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: 11.382 ± 0.0011 Å
• b: 15.5502 ± 0.0014 Å
• c: 17.191 ± 0.0016 Å
• α: 71.786 ± 0.002°
• β: 84.497 ± 0.002°
• γ: 79.695 ± 0.002°
• Cell volume: 2841 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No