Information card for entry 7225111

Structure parameters

• Formula: C87 H79 N2 P4 Ru2
• Calculated formula: C87 H79 N2 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: 18.146 ± 0.003 Å
• b: 23.863 ± 0.002 Å
• c: 18.672 ± 0.002 Å
• α: 90°
• β: 117.597 ± 0.017°
• γ: 90°
• Cell volume: 7165.4 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1663
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No