Information card for entry 4088184

Structure parameters

• Formula: C36 H46 Cl O2 P3 Ru
• Calculated formula: C36 H46 Cl O2 P3 Ru
• SMILES: [Ru]12(Cl)([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.1857 ± 0.0006 Å
• b: 10.318 ± 0.0006 Å
• c: 18.04 ± 0.001 Å
• α: 73.459 ± 0.001°
• β: 85.247 ± 0.001°
• γ: 69.059 ± 0.001°
• Cell volume: 1697.05 ± 0.17 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No