Information card for entry 1564136

Structure parameters

• Formula: C51 H39 As2 N3 O2 Ru S
• Calculated formula: C51 H39 As2 N3 O2 Ru S
• SMILES: [Ru]12(N3C(=N[N]2=Cc2c(O1)cccc2)Sc1c3cccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Synthesis and structural characterization of facile ruthenium(II) hydrazone complexes: Efficient catalysts in α-alkylation of ketones with primary alcohols via hydrogen auto transfer
• Authors of publication: Vijayapritha, Subbarayan; Murugan, Kaliyappan; Viswanathamurthi, Periasamy; Vijayan, Paranthaman; Kalaiarasi, Chinnasamy
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119887
• a: 11.8308 ± 0.0002 Å
• b: 25.8399 ± 0.0005 Å
• c: 15.0943 ± 0.0003 Å
• α: 90°
• β: 108.415 ± 0.001°
• γ: 90°
• Cell volume: 4378.14 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No