Information card for entry 7225115

Structure parameters

• Formula: C100.5 H91 Cl3 N5 O0 P5 Ru2
• Calculated formula: C100.5 H91 Cl3 N5 P5 Ru2
• Title of publication: Synthesis and catalytic performance of ruthenium complexes ligated with rigid o-(diphenylphosphino)aniline for chemoselective hydrogenation of dimethyl oxalate
• Authors of publication: Fang, Xiaolong; Zhang, Chunyan; Chen, Jin; Zhu, Hongping; Yuan, Youzhu
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.4725 ± 0.0007 Å
• b: 44.037 ± 0.003 Å
• c: 16.4716 ± 0.0009 Å
• α: 90°
• β: 94.598 ± 0.005°
• γ: 90°
• Cell volume: 9017.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1804
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No