Information card for entry 7710547

Structure parameters

• Formula: C22 H37 Cl Ir N2 P Si
• Calculated formula: C22 H37 Cl Ir N2 P Si
• SMILES: [IrH]12(Cl)([P](C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)Cc3[n]1c(ccc3)c1[n]2cccc1
• Title of publication: Iridium and rhodium complexes bearing a silyl-bipyridine pincer ligand: synthesis, structures and catalytic activity for C–H borylation of arenes
• Authors of publication: Komuro, Takashi; Mochizuki, Daiki; Hashimoto, Hisako; Tobita, Hiromi
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.8176 ± 0.0008 Å
• b: 9.3483 ± 0.0004 Å
• c: 18.1721 ± 0.0009 Å
• α: 90°
• β: 110.406 ± 0.002°
• γ: 90°
• Cell volume: 2518.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No