Information card for entry 7119226

Structure parameters

• Formula: C22 H23 Cl N2 O0 Ru
• Calculated formula: C22 H23 Cl N2 Ru
• SMILES: [Ru]123456(Cl)([N](=Nc7c1cccc7)c1ccccc1)[c]1(C(C)C)[cH]5[cH]2[c]4(C)[cH]3[cH]61
• Title of publication: Ruthenium-catalyzed meta/ortho-selective C-H alkylation of azoarenes using alkyl bromides.
• Authors of publication: Li, Gang; Ma, Xingxing; Jia, Chunqi; Han, Qingqing; Wang, Ya; Wang, Junjie; Yu, Liuyang; Yang, Suling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 1261 - 1264
• a: 10.445 ± 0.002 Å
• b: 14.347 ± 0.003 Å
• c: 14.407 ± 0.003 Å
• α: 82.53 ± 0.03°
• β: 85.3 ± 0.03°
• γ: 74.55 ± 0.03°
• Cell volume: 2060.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0817
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No