Information card for entry 4518575

Structure parameters

• Formula: C24 H24 Cl N3 O Ru
• Calculated formula: C24 H24 Cl N3 O Ru
• SMILES: [Ru]123456(Cl)(Oc7c(n8[n]1nc(c8)c1ccccc1)cccc7)[cH]1[c]4([cH]3[cH]2[c]6([cH]51)C)C(C)C
• Title of publication: Transfer Hydrogenation of Aldehydes and Ketones in Air with Methanol and Ethanol by an Air-Stable Ruthenium–Triazole Complex
• Authors of publication: Ghosh, Rahul; Jana, Narayan Ch.; Panda, Surajit; Bagh, Bidraha
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2021
• a: 22.8691 ± 0.0011 Å
• b: 11.8858 ± 0.0004 Å
• c: 19.9571 ± 0.001 Å
• α: 90°
• β: 115.033 ± 0.006°
• γ: 90°
• Cell volume: 4915.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No