Information card for entry 4086375

Structure parameters

• Formula: C41 H42 Cl N P2 Pd S Si
• Calculated formula: C41 H42 Cl N P2 Pd S Si
• SMILES: [Pd]1(Cl)([S]=P(C1[Si](c1ccccc1N(C)C)(C)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 14.3169 ± 0.0006 Å
• b: 14.1808 ± 0.0006 Å
• c: 19.3002 ± 0.0009 Å
• α: 90°
• β: 101.058 ± 0.002°
• γ: 90°
• Cell volume: 3845.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No