Information card for entry 7018856

Structure parameters

• Formula: C31 H26 Cl N2 P Pd S
• Calculated formula: C31 H26 Cl N2 P Pd S
• SMILES: [Pd]1([n]2ccccc2C(=Nc2ccccc2C)S1)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium(ii) thiocarboxamide complexes: synthesis, characterisation and application to catalytic Suzuki coupling reactions.
• Authors of publication: Sindhuja, Elangovan; Ramesh, Rengan; Liu, Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5351 - 5361
• a: 25.1402 ± 0.0009 Å
• b: 10.2928 ± 0.0003 Å
• c: 23.0874 ± 0.0009 Å
• α: 90°
• β: 108.072 ± 0.003°
• γ: 90°
• Cell volume: 5679.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No