Information card for entry 7059021

Structure parameters

• Formula: C22 H15 N O9 Ru3
• Calculated formula: C22 H15 N O9 Ru3
• Title of publication: Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12
• Authors of publication: Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• a: 18.146 ± 0.003 Å
• b: 10.6229 ± 0.0015 Å
• c: 25.999 ± 0.005 Å
• α: 90°
• β: 105.869 ± 0.005°
• γ: 90°
• Cell volume: 4820.7 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No