Information card for entry 4080491

Structure parameters

• Formula: C19 H14 Cl N Pd S
• Calculated formula: C19 H14 Cl N Pd S
• SMILES: [Pd]12(c3ccccc3C=[N]2c2ccccc2[S]1c1ccccc1)Cl
• Title of publication: Nickel(II) and Palladium(II) Complexes with Tridentate [C,N,S] and [C,N,P] Ligands: Syntheses, Characterization, and Catalytic Norbornene Polymerization
• Authors of publication: Qiao, Ya-Lin; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1932
• a: 12.2201 ± 0.0012 Å
• b: 15.134 ± 0.0016 Å
• c: 9.0568 ± 0.001 Å
• α: 90°
• β: 106.708 ± 0.002°
• γ: 90°
• Cell volume: 1604.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No