Information card for entry 4064315

Structure parameters

• Formula: C22 H32 Cl Ir N2 O Si
• Calculated formula: C22 H32 Cl Ir N2 O Si
• SMILES: [IrH](Cl)(C#C[Si](C(C)C)(C(C)C)C(C)C)(C#[O])([n]1ccccc1)[n]1ccccc1
• Title of publication: Silylative Coupling of Terminal Alkynes with Iodosilanes: New Catalytic Activation of sp-Hybridized Carbon−Hydrogen Bonds
• Authors of publication: Kownacki, Ireneusz; Marciniec, Bogdan; Dudziec, Beata; Kubicki, Maciej
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2539
• a: 7.9314 ± 0.0009 Å
• b: 8.6025 ± 0.001 Å
• c: 21.52 ± 0.003 Å
• α: 82.076 ± 0.01°
• β: 85.871 ± 0.01°
• γ: 62.673 ± 0.012°
• Cell volume: 1291.9 ± 0.3 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 293 ± 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: 0.096
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No