Information card for entry 7023324

Structure parameters

• Formula: C22 H21 N O6
• Calculated formula: C22 H21 N O6
• Title of publication: A half-sandwich 1,2-azaborolyl ruthenium complex: synthesis, characterization, and evaluation of its catalytic activities.
• Authors of publication: Liu, Zicheng; Xu, Junjie; Ruan, Wenqing; Fu, Chen; Zhang, Hui-Jun; Wen, Ting-Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 11976 - 11980
• a: 8.8506 ± 0.0003 Å
• b: 9.5121 ± 0.0003 Å
• c: 22.9522 ± 0.0008 Å
• α: 90°
• β: 96.001 ± 0.003°
• γ: 90°
• Cell volume: 1921.71 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0583
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No