Information card for entry 7710545

Structure parameters

• Formula: C19 H28 Cl Ir N2 Si
• Calculated formula: C19 H28 Cl Ir N2 Si
• SMILES: [IrH]12(Cl)[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: 13.0266 ± 0.001 Å
• b: 9.0938 ± 0.0005 Å
• c: 17.1609 ± 0.0007 Å
• α: 90°
• β: 96.959 ± 0.004°
• γ: 90°
• Cell volume: 2017.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No