Information card for entry 4518442

Structure parameters

• Common name: vs_Ru_db_coord2
• Formula: C38 H46 Cl2 N2 Ru
• Calculated formula: C38 H46 Cl2 N2 Ru
• SMILES: [Ru]12(Cl)(Cl)(=CC3=C(CCCC3(C)C)[CH]1=[CH]2c1ccccc1)=C1N(c2c(cc(cc2C)C)C)CCN1c1c(cc(cc1C)C)C
• Title of publication: Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts
• Authors of publication: Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1977 - 1987
• a: 11.9816 ± 0.001 Å
• b: 10.5576 ± 0.0007 Å
• c: 13.8098 ± 0.0012 Å
• α: 90°
• β: 93.972 ± 0.003°
• γ: 90°
• Cell volume: 1742.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.599
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No