Information card for entry 4086378

Structure parameters

• Formula: C38 H44 O P2 Pd S Si
• Calculated formula: C38 H44 O P2 Pd S Si
• SMILES: [Pd]12([S]=P(C1[Si](C2)(C)C)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC
• 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: 10.6786 ± 0.0005 Å
• b: 11.8158 ± 0.0005 Å
• c: 14.7036 ± 0.0007 Å
• α: 81.058 ± 0.002°
• β: 81.789 ± 0.002°
• γ: 78.133 ± 0.002°
• Cell volume: 1781.7 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No