Information card for entry 7040252

Structure parameters

• Formula: C19 H21 Cl2 N O Ru
• Calculated formula: C19 H21 Cl2 N O Ru
• SMILES: [Ru]123456(Cl)([N]7CCOC=7c7ccc(Cl)cc67)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• Title of publication: Half-sandwich cycloruthenated complexes from aryloxazolines: synthesis, structures, and catalytic activities.
• Authors of publication: Jia, Wei-Guo; Zhang, Tai; Xie, Dong; Xu, Qiu-Tong; Ling, Shuo; Zhang, Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 36
• Pages of publication: 14230 - 14237
• a: 20.8082 ± 0.0015 Å
• b: 12.1972 ± 0.0009 Å
• c: 16.3314 ± 0.0012 Å
• α: 90°
• β: 113.01 ± 0.001°
• γ: 90°
• Cell volume: 3815.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No