Information card for entry 4074074

Structure parameters

• Formula: C46 H46 Cl2 F3 I N2 O3 P2 Pd S
• Calculated formula: C46 H46 Cl2 F3 I N2 O3 P2 Pd S
• Title of publication: Palladium(II) Pyrazolin-4-ylidenes: Remote N-Heterocyclic Carbene Complexes and Their Catalytic Application in Aqueous Suzuki−Miyaura Coupling
• Authors of publication: Han, Yuan; Huynh, Han Vinh; Tan, Geok Kheng
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6581
• a: 10.0914 ± 0.0005 Å
• b: 22.4737 ± 0.0011 Å
• c: 20.9892 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4760.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 10
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No