Information card for entry 1542345

Structure parameters

• Formula: C21 H26 F3 Ir N2 O4 Si
• Calculated formula: C21 H26 F3 Ir N2 O4 Si
• SMILES: [IrH]123([Si](Oc4[n]1cccc4)(Oc1[n]2cccc1)C)(OC(=O)C(F)(F)F)[CH]1=[CH]3CCCCCC1
• Title of publication: Tuning the activity and selectivity of iridium-NSiN catalyzed CO2hydrosilylation processes
• Authors of publication: Julián, Alejandro; Jaseer, E. A.; Garcés, Karin; Fernández-Alvarez, Francisco J.; García-Orduña, Pilar; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 4410
• a: 28.294 ± 0.0017 Å
• b: 11.04 ± 0.0007 Å
• c: 15.2266 ± 0.0009 Å
• α: 90°
• β: 111.304 ± 0.001°
• γ: 90°
• Cell volume: 4431.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.317
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No