Information card for entry 7131439

Structure parameters

• Formula: C23 H29 Ir N2 O2
• Calculated formula: C23 H29 Ir N2 O2
• 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: 15.482 ± 0.003 Å
• b: 10.1564 ± 0.0017 Å
• c: 17.192 ± 0.003 Å
• α: 90°
• β: 105.727 ± 0.006°
• γ: 90°
• Cell volume: 2602.1 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No