Information card for entry 7157983

Structure parameters

• Formula: C41 H43 Cl2 N2 P Ru
• Calculated formula: C41 H43 Cl2 N2 P Ru
• Title of publication: Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.
• Authors of publication: Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 3451 - 3461
• a: 10.0105 ± 0.0003 Å
• b: 11.3092 ± 0.0004 Å
• c: 19.085 ± 0.0007 Å
• α: 85.671 ± 0.003°
• β: 78.534 ± 0.003°
• γ: 67.01 ± 0.003°
• Cell volume: 1949.31 ± 0.12 ų
• Cell temperature: 282.72 ± 0.1 K
• Ambient diffraction temperature: 282.72 ± 0.1 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: 0.0336
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No