Information card for entry 7225113

Structure parameters

• Formula: C37 H32 N2 O P2 Ru
• Calculated formula: C37 H32 N2 O P2 Ru
• SMILES: [RuH]12([P](c3c([NH2]1)cccc3)(c1ccccc1)c1ccccc1)([P](c1c(N2)cccc1)(c1ccccc1)c1ccccc1)C#[O]
• 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: 9.4756 ± 0.0005 Å
• b: 12.3693 ± 0.0006 Å
• c: 15.0544 ± 0.0008 Å
• α: 102.681 ± 0.004°
• β: 104.014 ± 0.005°
• γ: 106.027 ± 0.005°
• Cell volume: 1565.9 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No