Information card for entry 7003151

Structure parameters

• Formula: C32.5 H26.5 Br2 Cl1.5 N P Pd S
• Calculated formula: C32.5 H26.5 Br2 Cl1.5 N P Pd S
• Title of publication: Pd(ii) complexes with mixed benzothiazolin-2-ylidene and phosphine ligands and their catalytic activities toward C‒C coupling reactions
• Authors of publication: Yen, Swee Kuan; Koh, Lip Lin; Huynh, Han Vinh; Hor, T. S. Andy
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 5
• Pages of publication: 699 - 706
• a: 37.007 ± 0.003 Å
• b: 9.2211 ± 0.0007 Å
• c: 19.3966 ± 0.0014 Å
• α: 90°
• β: 109.757 ± 0.002°
• γ: 90°
• Cell volume: 6229.4 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• 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: 0.0928
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No