Information card for entry 7704797

Structure parameters

• Formula: C43 H48 B Cl2 F4 N4 O P Ru
• Calculated formula: C43 H48 B Cl2 F4 N4 O P Ru
• Title of publication: Hydrogenation/dehydrogenation of N-heterocycles catalyzed by ruthenium complexes based on multimodal proton-responsive CNN(H) pincer ligands.
• Authors of publication: Sánchez, Práxedes; Hernández-Juárez, Martín; Rendón, Nuria; López-Serrano, Joaquín; Santos, Laura L.; Álvarez, Eleuterio; Paneque, Margarita; Suárez, Andrés
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 9583 - 9587
• a: 11.3501 ± 0.0002 Å
• b: 13.8331 ± 0.0003 Å
• c: 15.6821 ± 0.0004 Å
• α: 101.89 ± 0.001°
• β: 99.446 ± 0.001°
• γ: 95.623 ± 0.001°
• Cell volume: 2354.45 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No