Information card for entry 1557476

Structure parameters

• Chemical name: 4
• Formula: C36 H46 Cl2 N3 Ru
• Calculated formula: C36 H46 Cl2 N3 Ru
• SMILES: [Ru]1(Cl)(Cl)([N](=CC(CC=1)(C)C)C1Cc2ccccc2C1)C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: An additional potential donor-bearing alkylidene-containing latent NHC‒ruthenium-based catalyst for olefin metathesis polymerization
• Authors of publication: Sivanesan, Dharmalingam; Seo, Bongkuk; Lim, Choong-Sun; Choi, Dongchen; Kim, Taehee; Kim, Hyeon-Gook
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 2511 - 2518
• a: 13.6977 ± 0.0004 Å
• b: 11.9911 ± 0.0003 Å
• c: 21.2056 ± 0.0005 Å
• α: 90°
• β: 96.908 ± 0.001°
• γ: 90°
• Cell volume: 3457.75 ± 0.16 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No