Information card for entry 7225114

Structure parameters

• Formula: C91.5 H80 N4 O2 P4 Ru2
• Calculated formula: C91.5 H76 N4 O2 P4 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: 14.0553 ± 0.0004 Å
• b: 21.4168 ± 0.0006 Å
• c: 25.583 ± 0.0007 Å
• α: 90°
• β: 99.946 ± 0.002°
• γ: 90°
• Cell volume: 7585.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0924
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No