Information card for entry 1100804

Structure parameters

• Formula: C32 H33 Cl3 F3 N3 O4 Pd S
• Calculated formula: C32 H33 Cl3 F3 N3 O4 Pd S
• Title of publication: Reactivity of [Pd{CH~2~C(O)Me}Cl]~n~ toward Isocyanides
• Authors of publication: Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 2516 - 2527
• a: 8.6505 ± 0.0005 Å
• b: 11.8001 ± 0.0005 Å
• c: 18.7442 ± 0.0014 Å
• α: 83.546 ± 0.005°
• β: 87.742 ± 0.005°
• γ: 70.234 ± 0.004°
• Cell volume: 1789.2 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No