Information card for entry 7059029

Structure parameters

• Formula: C22 H11 N O8 Ru3
• Calculated formula: C22 H11 N O8 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: 8.1534 ± 0.0015 Å
• b: 9.9791 ± 0.0019 Å
• c: 14.213 ± 0.003 Å
• α: 91.735 ± 0.005°
• β: 94.157 ± 0.005°
• γ: 102.6 ± 0.005°
• Cell volume: 1124.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No