Information card for entry 4086374

Structure parameters

• Formula: C34 H35 I P2 Pd S Si
• Calculated formula: C34 H35 I P2 Pd S Si
• SMILES: [Pd]1([S]=P(C1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(I)[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: 10.6034 ± 0.0003 Å
• b: 12.6786 ± 0.0004 Å
• c: 13.9842 ± 0.0004 Å
• α: 89.381 ± 0.001°
• β: 74.26 ± 0.001°
• γ: 68.635 ± 0.001°
• Cell volume: 1676.99 ± 0.09 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: 0.0461
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No