Information card for entry 7104583

Structure parameters

• Formula: C19 H19 F2 N3 O4 Pd S
• Calculated formula: C19 H19 F2 N3 O4 Pd S
• Title of publication: Comparative catalytic C-H vs. C-Si activation of arenes with Pd complexes directed by urea or amide groups.
• Authors of publication: Rauf, Waqar; Thompson, Amber L; Brown, John M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 26
• Pages of publication: 3874 - 3876
• a: 7.2492 ± 0.0002 Å
• b: 8.7969 ± 0.0003 Å
• c: 16.6174 ± 0.0006 Å
• α: 90.7614 ± 0.0017°
• β: 101.091 ± 0.0017°
• γ: 100.965 ± 0.0019°
• Cell volume: 1019.55 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No