Information card for entry 4075261

Structure parameters

• Formula: C30 H35 F3 N4 O4 Pd S
• Calculated formula: C30 H35 F3 N4 O4 Pd S
• Title of publication: Reactivity of Ortho-Palladated Phenol Derivatives with Unsaturated Molecules. Carbodiimide Insertion into a C−Pd Bond and/or O−H Phenol Addition to a Carbodiimide
• Authors of publication: Vicente, José; Abad, José Antonio; López-Sáez, María-José; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1851
• a: 25.677 ± 0.002 Å
• b: 13.7723 ± 0.0011 Å
• c: 20.4054 ± 0.0016 Å
• α: 90°
• β: 122.774 ± 0.004°
• γ: 90°
• Cell volume: 6067.3 ± 0.9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No