Information card for entry 4332208

Structure parameters

• Formula: C17 H26 N P S
• Calculated formula: C17 H26 N P S
• SMILES: P(=S)(C1C(=Cc2ccccc12)N(C)C)(C(C)C)C(C)C
• Title of publication: Rh(I) and Ir(I) Derivatives of a P(S),N-Substituted Indene Ligand: Synthetic, Structural, and Catalytic Alkene Hydrosilylation Studies
• Authors of publication: Wechsler, Dominik; Myers, Anne; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4562 - 4570
• a: 17.3157 ± 0.0019 Å
• b: 10.8344 ± 0.0012 Å
• c: 17.787 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3336.9 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No