Information card for entry 1540417

Structure parameters

• Formula: C56 H73 Cl2 N2 P Ru
• Calculated formula: C56 H73 Cl2 N2 P Ru
• SMILES: C1(C=C(c2ccccc12)c1c(cccc1C)C)=[Ru](=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Cl)(Cl)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts
• Authors of publication: Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 2092
• a: 11.7833 ± 0.0003 Å
• b: 32.7044 ± 0.001 Å
• c: 13.6983 ± 0.0004 Å
• α: 90°
• β: 111.821 ± 0.003°
• γ: 90°
• Cell volume: 4900.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 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: 0.1128
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No