Information card for entry 7708758

Structure parameters

• Formula: C32 H38 Cl N3 O Ru
• Calculated formula: C32 H38 Cl N3 O Ru
• SMILES: [Ru]123456(Cl)(N(C(=O)CN7C=CN(c8c(cc(cc8C)C)C)C=17)c1c(C)cccc1C)[cH]1[c]2(C(C)C)[cH]4[cH]6[c]5([cH]31)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: 9.0361 ± 0.0006 Å
• b: 30.505 ± 0.002 Å
• c: 10.5031 ± 0.0006 Å
• α: 90°
• β: 93.623 ± 0.005°
• γ: 90°
• Cell volume: 2889.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0952
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No