Information card for entry 4128267

Structure parameters

• Formula: C64 H60 Br2 Cl2 N4 O4 Ru
• Calculated formula: C64 H60 Br2 Cl2 N4 O4 Ru
• SMILES: [Ru]12(Cl)(Cl)([CH]([C@@H]3[C@H]4[C@H]5[C@H](C(=O)N(c6ccc(Br)cc6)C5=O)[C@H](C=C4)[C@@H]3C=2)=[CH]1[C@H]1[C@H]([C@@H]2[C@H]3C(=O)N(C(=O)[C@H]3[C@H]1C=C2)c1ccc(Br)cc1)/C=C\c1ccccc1)=C1N(CCN1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C.[Ru]12(Cl)(Cl)([CH]([C@H]3[C@@H]4[C@@H]5[C@@H](C(=O)N(c6ccc(Br)cc6)C5=O)[C@@H](C=C4)[C@H]3C=2)=[CH]1[C@@H]1[C@@H]([C@H]2[C@@H]3C(=O)N(C(=O)[C@@H]3[C@@H]1C=C2)c1ccc(Br)cc1)/C=C\c1ccccc1)=C1N(CCN1c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C
• Title of publication: Living Polymerization Caught in the Act: Direct Observation of an Arrested Intermediate in Metathesis Polymerization.
• Authors of publication: Song, Jung-Ah; Park, Bohyun; Kim, Soohyung; Kang, Cheol; Lee, Dongwhan; Baik, Mu-Hyun; Grubbs, Robert H.; Choi, Tae-Lim
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 25
• Pages of publication: 10039 - 10047
• a: 13.7156 ± 0.0002 Å
• b: 15.0052 ± 0.0002 Å
• c: 17.1877 ± 0.0002 Å
• α: 85.65 ± 0.001°
• β: 78.025 ± 0.001°
• γ: 63.955 ± 0.001°
• Cell volume: 3108.47 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No