Information card for entry 7708760

Structure parameters

• Formula: C32 H38 Cl N3 O Ru
• Calculated formula: C32 H38 Cl N3 O Ru
• SMILES: [Ru]123456(Cl)(OC(=N\c7c(cccc7C)C)/CN7C=CN(c8c(cc(cc8C)C)C)C=17)[cH]1[c]4([cH]2[cH]3[c]6(C(C)C)[cH]51)C
• 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: 8.0275 ± 0.0003 Å
• b: 13.1953 ± 0.0005 Å
• c: 15.2588 ± 0.0006 Å
• α: 103.407 ± 0.003°
• β: 104.358 ± 0.003°
• γ: 102.686 ± 0.003°
• Cell volume: 1455.8 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0667
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No