Information card for entry 7059028

Structure parameters

• Formula: C22 H11 Br Cl2 N2 O9 Ru3
• Calculated formula: C22 H11 Br Cl2 N2 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: 8.0005 ± 0.0016 Å
• b: 11.922 ± 0.002 Å
• c: 14.299 ± 0.003 Å
• α: 91.869 ± 0.007°
• β: 94.132 ± 0.007°
• γ: 106.036 ± 0.007°
• Cell volume: 1305.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No