Information card for entry 4518430

Structure parameters

• Common name: vs_7mem_db_coord
• Formula: C48 H52 Cl4 N2 O Ru Si
• Calculated formula: C48 H52 Cl4 N2 O Ru Si
• SMILES: [Ru]12(Cl)(Cl)(=CC3=C([CH]1=[CH]2c1ccccc1)CCCO[Si]3(c1ccccc1)c1ccccc1)=C1N(c2c(cc(cc2C)C)C)CCN1c1c(cc(cc1C)C)C.ClCCl
• 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: 15.2754 ± 0.0016 Å
• b: 28.119 ± 0.003 Å
• c: 10.416 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4474 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No