Information card for entry 7708759

Structure parameters

• Formula: C27 H35 Cl2 N3 O2 Ru
• Calculated formula: C27 H35 Cl2 N3 O2 Ru
• SMILES: [Ru]123456(Cl)([n]7ccccc7CN7C=1N(c1c(cccc1C)C)C=C7)[cH]1[cH]3[c]4([cH]2[cH]6[c]51C)C(C)C.[Cl-].O.O
• Title of publication: One pot tandem dual CC and CO bond reductions in the β-alkylation of secondary alcohols with primary alcohols by ruthenium complexes of amido and picolyl functionalized N-heterocyclic carbenes.
• Authors of publication: Prakasham, A. P.; Ta, Sabyasachi; Dey, Shreyata; Ghosh, Prasenjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 43
• Pages of publication: 15640 - 15654
• a: 8.2367 ± 0.0003 Å
• b: 9.1208 ± 0.0003 Å
• c: 17.8719 ± 0.0005 Å
• α: 93.836 ± 0.002°
• β: 93.825 ± 0.002°
• γ: 97.623 ± 0.003°
• Cell volume: 1323.9 ± 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: 0.0576
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No