Information card for entry 7717756

Structure parameters

• Formula: C61 H56 B N2 O P2 Ru
• Calculated formula: C61 H56 B N2 O P2 Ru
• Title of publication: Catalysis activity and chemoselectivity control with the <i>trans</i> ligand in Ru-H pincer complexes.
• Authors of publication: Halder, Mita; Castillo Cardenas, Diana; Chartouni, Angela M.; Culver, Damien B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 2851 - 2859
• a: 13.1411 ± 0.0005 Å
• b: 12.9946 ± 0.0005 Å
• c: 29.4189 ± 0.0011 Å
• α: 90°
• β: 90.258 ± 0.001°
• γ: 90°
• Cell volume: 5023.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No