Information card for entry 7247860

Structure parameters

• Formula: C29 H36 Cl N O Ru
• Calculated formula: C29 H36 Cl N O Ru
• Title of publication: A highly active and chemoselective homobimetallic ruthenium catalyst for one-pot reductive amination in water
• Authors of publication: Deshmukh, Gopal; Rana, Thakur Rochak Kumar; Yadav, Nikita; Rajaraman, Gopalan; Murugavel, Ramaswamy
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 1610 - 1626
• a: 11.3984 ± 0.0001 Å
• b: 12.3026 ± 0.0001 Å
• c: 18.3366 ± 0.0002 Å
• α: 90°
• β: 99.351 ± 0.001°
• γ: 90°
• Cell volume: 2537.17 ± 0.04 ų
• Cell temperature: 104.5 ± 0.7 K
• Ambient diffraction temperature: 104.5 ± 0.7 K
• Number of distinct elements: 6
• 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: 0.0221
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No