Information card for entry 2232572

Structure parameters

• Common name: weixrs01
• Chemical name: [2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>'] chlorido(4-methylphenylsulfonyl-κ<i>S</i>)palladium(II) dichloromethane trisolvate monohydrate
• Formula: C54 H47 Cl7 O3 P2 Pd S
• Calculated formula: C54 H47 Cl7 O3 P2 Pd S
• Title of publication: [2,2'-Bis(diphenylphosphanyl)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']chlorido(4-methylphenylsulfonyl-κ<i>S</i>)palladium(II) dichloromethane trisolvate monohydrate
• Authors of publication: Shrestha, Ruja; Brennessel, William W.; Weix, Daniel J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1830
• a: 12.7273 ± 0.0012 Å
• b: 13.7474 ± 0.0013 Å
• c: 16.533 ± 0.003 Å
• α: 101.808 ± 0.002°
• β: 101.339 ± 0.002°
• γ: 109.743 ± 0.002°
• Cell volume: 2551.8 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0825
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes