Information card for entry 7711430

Structure parameters

• Formula: C31 H45 F3 Ir N3 O4 S Si
• Calculated formula: C31 H44 F3 Ir N3 O4 S Si
• SMILES: [Ir]12345([n]6c(C(O[Si](CC)(CC)CC)=[N]1c1ccc(N(C)C)cc1)cccc6)[c]1([c]2([c]4([c]3([c]51C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Heterolytic cleavage of a Si-H bond by a metal-ligand cooperation of a cationic iridium amido complex and hydrosilylation of aldehydes.
• Authors of publication: Iizuka, Kosuke; Nakajima, Yumiko; Sato, Kazuhiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 34
• Pages of publication: 12781 - 12785
• a: 10.1347 ± 0.0002 Å
• b: 15.7212 ± 0.0003 Å
• c: 22.1257 ± 0.0004 Å
• α: 90°
• β: 100.143 ± 0.002°
• γ: 90°
• Cell volume: 3470.18 ± 0.12 ų
• Cell temperature: 93.15 K
• Ambient diffraction temperature: 93.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No