Information card for entry 7131440

Structure parameters

• Formula: C26 H35 Ir N2 O2
• Calculated formula: C26 H35 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: 14.3819 ± 0.001 Å
• b: 27.2526 ± 0.0018 Å
• c: 26.1453 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10247.5 ± 1.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No