Information card for entry 4308138

Structure parameters

• Formula: C49 H40 Cl13 N6 O2 Ru2
• Calculated formula: C49 H40 Cl13 N6 O2 Ru2
• SMILES: [Ru]1234([Ru](N(C=[N]1c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)(N(C=[N]2c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)([N](=CN3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)[O]=C(O4)CC=C)Cl.CCCCCC
• Title of publication: Olefin Metathesis as an Inorganic Synthetic Tool: Cross and Ring Closing Metathesis Reactions of Diruthenium-Bound ω-Alkene-α-carboxylates
• Authors of publication: Wei-Zhong Chen; John D. Protasiewicz; Stephen A. Davis; James B. Updegraff; Li-Qing Ma; Phillip E. Fanwick; Tong Ren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3775 - 3782
• a: 16.2968 ± 0.0012 Å
• b: 16.4126 ± 0.0012 Å
• c: 23.0668 ± 0.0017 Å
• α: 78.848 ± 0.002°
• β: 70.724 ± 0.002°
• γ: 74.988 ± 0.003°
• Cell volume: 5585.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No