Information card for entry 7040251

Structure parameters

• Formula: C19 H22 Cl N O Ru
• Calculated formula: C19 H22 Cl N O Ru
• SMILES: [Ru]123456(Cl)([N]7CCOC=7c7ccccc67)[c]6(C)[cH]1[cH]2[c]3([cH]4[cH]56)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: 11.8528 ± 0.0006 Å
• b: 11.8528 ± 0.0006 Å
• c: 25.589 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3595 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No