Information card for entry 4348273

Structure parameters

• Formula: C12 H13 Cl2 N O Ru
• Calculated formula: C12 H13 Cl2 N O Ru
• SMILES: [Ru]12345(Cl)(Cl)([NH2]c6ccccc6)[cH]6[cH]1[cH]2[cH]3[cH]4[cH]56
• Title of publication: Phosphine-free ruthenium-arene complex for low temperature one-pot catalytic conversion of aldehydes to primary amides in water
• Authors of publication: Tyagi, Deepika; Rai, Rohit K.; Dwivedi, Ambikesh D.; Mobin, Shaikh M.; Singh, Sanjay K.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 116
• a: 8.0036 ± 0.0003 Å
• b: 8.7265 ± 0.0003 Å
• c: 18.6255 ± 0.0007 Å
• α: 76.921 ± 0.003°
• β: 85.191 ± 0.003°
• γ: 74.312 ± 0.003°
• Cell volume: 1219.56 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No