Information card for entry 7054598

Structure parameters

• Formula: C28 H45 Cl2 O P Ru
• Calculated formula: C28 H45 Cl2 O P Ru
• SMILES: [Ru]1(Cl)(Cl)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[O](c2c(C=1)cccc2)C(C)C
• Title of publication: Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols
• Authors of publication: Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1858
• a: 11.4775 ± 0.0003 Å
• b: 19.2194 ± 0.0005 Å
• c: 25.7969 ± 0.0006 Å
• α: 90°
• β: 96.478 ± 0.002°
• γ: 90°
• Cell volume: 5654.2 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No