Information card for entry 4084181

Structure parameters

• Formula: C52 H45 As2 Cl N2 O Ru S
• Calculated formula: C52 H45 As2 Cl0.194 N2 O Ru S
• Title of publication: Direct Synthesis of Amides from Coupling of Alcohols and Amines Catalyzed by Ruthenium(II) Thiocarboxamide Complexes under Aerobic Conditions
• Authors of publication: Sindhuja, Elangovan; Ramesh, Rengan; Balaji, Sundarraman; Liu, Yu
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 16
• Pages of publication: 4269
• a: 10.058 ± 0.002 Å
• b: 42.117 ± 0.008 Å
• c: 11.34 ± 0.002 Å
• α: 90°
• β: 106.24 ± 0.03°
• γ: 90°
• Cell volume: 4612.1 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No