Information card for entry 7160717

Structure parameters

• Formula: C37 H38 Cl2 N O2 P Ru
• Calculated formula: C37 H38 Cl2 N O2 P Ru
• Title of publication: Ru^II-phosphine catalysed direct synthesis of benzimidazoles <i>via</i> acceptorless dehydrogenative coupling of alcohols with aromatic diamines.
• Authors of publication: Pandey, Ankit; Balakrishna, Maravanji S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 38
• Pages of publication: 8795 - 8804
• a: 21.478 ± 0.003 Å
• b: 9.9044 ± 0.0015 Å
• c: 18.416 ± 0.003 Å
• α: 90°
• β: 105.547 ± 0.005°
• γ: 90°
• Cell volume: 3774.2 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.056
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0722
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No