Information card for entry 7131442

Structure parameters

• Formula: C25 H33 Ir N2 O2
• Calculated formula: C25 H33 Ir N2 O2
• SMILES: C12=[Ir]345([CH]6=[CH]3CC[CH]4=[CH]5CC6)OC(=O)[C@H](C(C)C)N2C=CN1c1c(cc(cc1C)C)C
• Title of publication: Iridium(I) complexes with bidentate NHC ligands as catalysts for dehydrogenative directed C-H silylation.
• Authors of publication: Manguin, Romane; Galiana-Cameo, María; Kittikool, Tanakorn; Barthes, Cécile; Thongpaen, Jompol; Bancal, Etienne; Mallet-Ladeira, Sonia; Yotphan, Sirilata; Castarlenas, Ricardo; Mauduit, Marc; Sortais, Jean-Baptiste; Baslé, Olivier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 28
• Pages of publication: 4193 - 4196
• a: 8.9043 ± 0.0005 Å
• b: 14.237 ± 0.0008 Å
• c: 9.2991 ± 0.0005 Å
• α: 90°
• β: 105.794 ± 0.003°
• γ: 90°
• Cell volume: 1134.35 ± 0.11 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No