Information card for entry 4088182

Structure parameters

• Formula: C25 H40 O2 P2 Ru
• Calculated formula: C25 H40 O2 P2 Ru
• SMILES: [RuH]12345([P](Oc6c2c(O[P]1(C(C)C)C(C)C)ccc6)(C(C)C)C(C)C)[CH]1=[CH]3C2CC1[CH]4=[CH]52
• Title of publication: Synthesis of Pincer Hydrido Ruthenium Olefin Complexes for Catalytic Alkane Dehydrogenation
• Authors of publication: Zhang, Yuxuan; Fang, Huaquan; Yao, Wubing; Leng, Xuebing; Huang, Zheng
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 181
• a: 10.288 ± 0.003 Å
• b: 10.829 ± 0.003 Å
• c: 13.322 ± 0.004 Å
• α: 85.368 ± 0.006°
• β: 72.18 ± 0.005°
• γ: 63.267 ± 0.005°
• Cell volume: 1259.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No