Information card for entry 7130811

Structure parameters

• Formula: C24 H29 Cl N2 O2 Ru
• Calculated formula: C24 H29 Cl N2 O2 Ru
• Title of publication: Ruthenium-NHC complex-catalyzed P(III)-directed C-H borylation of arylphosphines.
• Authors of publication: Thongpaen, Jompol; Manguin, Romane; Kittikool, Tanakorn; Camy, Aurèle; Roisnel, Thierry; Dorcet, Vincent; Yotphan, Sirilata; Canac, Yves; Mauduit, Marc; Baslé, Olivier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 86
• Pages of publication: 12082 - 12085
• a: 10.1024 ± 0.0018 Å
• b: 21.259 ± 0.004 Å
• c: 10.8649 ± 0.0019 Å
• α: 90°
• β: 102.016 ± 0.005°
• γ: 90°
• Cell volume: 2282.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No