Information card for entry 7057607

Structure parameters

• Formula: C43 H43 Cl2 N Ru
• Calculated formula: C43 H43 Cl2 N Ru
• Title of publication: Water-soluble superbulky (η6-p-cymene) ruthenium(ii) amine: an active catalyst in the oxidative homocoupling of arylboronic acids and the hydration of organonitriles
• Authors of publication: Nirmala, Muthukumaran; Adinarayana, Mannem; Ramesh, Karupnaswamy; Maruthupandi, Mannarsamy; Vaddamanu, Moulali; Raju, Gembali; Prabusankar, Ganesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 18
• Pages of publication: 15221
• a: 7.8768 ± 0.0012 Å
• b: 13.917 ± 0.002 Å
• c: 17.713 ± 0.003 Å
• α: 104.199 ± 0.004°
• β: 93.373 ± 0.004°
• γ: 105.059 ± 0.004°
• Cell volume: 1802.1 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0488
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No