Information card for entry 7013078

Structure parameters

• Formula: C27.5 H27 Cl1.5 N O0.5 P Pd
• Calculated formula: C27.1 H28.1 Cl1.3 N O0.5 P Pd
• Title of publication: Phosphine and arsine adducts of N-donor palladacycles as catalysts in the Suzuki coupling of aryl bromides
• Authors of publication: Robin B. Bedford; Catherine S. J. Cazin; Simon J. Coles; Thomas Gelbrich; Michael B. Hursthouse; Véronique J. M. Scordia
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3350 - 3356
• a: 9.4871 ± 0.0019 Å
• b: 13.833 ± 0.003 Å
• c: 15.203 ± 0.004 Å
• α: 64.56 ± 0.02°
• β: 86.38 ± 0.03°
• γ: 73.77 ± 0.03°
• Cell volume: 1726.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1179
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No