Information card for entry 7018854

Structure parameters

• Formula: C29 H23 Cl N3 P Pd S
• Calculated formula: C29 H23 Cl N3 P Pd S
• SMILES: [Pd]1([n]2ccccc2C(S1)=Nc1ccncc1)(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: 14.205 ± 0.005 Å
• b: 9.867 ± 0.005 Å
• c: 19.274 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2701.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No