Information card for entry 4086368

Structure parameters

• Formula: C16 H20 I P S Si
• Calculated formula: C16 H20 I P S Si
• SMILES: IC(P(=S)(c1ccccc1)c1ccccc1)[Si](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: 8.6586 ± 0.0004 Å
• b: 12.4576 ± 0.0005 Å
• c: 16.964 ± 0.0007 Å
• α: 90°
• β: 103.642 ± 0.001°
• γ: 90°
• Cell volume: 1778.21 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No