Information card for entry 7704798

Structure parameters

• Formula: C47 H52 B F4 N4 O3 P Ru
• Calculated formula: C47 H52 B F4 N4 O3 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: 11.4403 ± 0.0002 Å
• b: 14.1416 ± 0.0002 Å
• c: 15.3495 ± 0.0002 Å
• α: 70.02 ± 0.001°
• β: 80.322 ± 0.001°
• γ: 89.715 ± 0.001°
• Cell volume: 2296.93 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No