Information card for entry 4086369

Structure parameters

• Formula: C23 H27 Cl N P S Si
• Calculated formula: C23 H27 Cl N P S Si
• SMILES: P(c1ccccc1)(=S)(c1ccccc1)[C@@H](Cl)[Si](c1ccccc1N(C)C)(C)C
• Title of publication: Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity
• Authors of publication: Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 159
• a: 8.7025 ± 0.0004 Å
• b: 11.0106 ± 0.0005 Å
• c: 24.1632 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2315.31 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0198
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No