Information card for entry 4029734

Structure parameters

• Formula: C28 H47 Cl5 P Ru2
• Calculated formula: C28 H47 Cl5 P Ru2
• SMILES: [Ru]12([Cl][Ru]34567([Cl]1)([Cl]2)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C(C)C)C)(Cl)(Cl)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Tandem catalysis of ring-closing metathesis/atom transfer radical reactions with homobimetallic ruthenium-arene complexes.
• Authors of publication: Borguet, Yannick; Sauvage, Xavier; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2010
• Journal volume: 6
• Pages of publication: 1167 - 1173
• a: 19.6672 ± 0.0013 Å
• b: 16.8432 ± 0.0012 Å
• c: 10.2146 ± 0.0006 Å
• α: 90°
• β: 101.481 ± 0.004°
• γ: 90°
• Cell volume: 3316 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No