Information card for entry 7717758

Structure parameters

• Formula: C58 H58 B N3 O P2 Ru
• Calculated formula: C58 H58 B N3 O P2 Ru
• Title of publication: Catalysis Activity and Chemoselectivity Control with the Trans Ligand in Ru-H Pincer Complexes
• Authors of publication: HALDER, MITA; Castillo Cardenas, Diana; M. Chartouni, Angela M; Culver, Damien
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 11.4158 ± 0.0005 Å
• b: 34.6443 ± 0.0015 Å
• c: 12.7068 ± 0.0005 Å
• α: 90°
• β: 99.007 ± 0.001°
• γ: 90°
• Cell volume: 4963.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No