Information card for entry 4308226

Structure parameters

• Formula: C71 H51 Cl13 N11 O2 Ru2
• Calculated formula: C71 H51 Cl13 N11 O2 Ru2
• SMILES: [Ru]1234[Ru](Cl)([N](=C(N1C)c1ccc(cc1)c1nnn(c1)Cc1cc(OCc5ccccc5)cc(OCc5ccccc5)c1)C)(N(C=[N]2c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)([N](=CN3c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1)N(C=[N]4c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1
• Title of publication: Dendronized Diruthenium Compounds via the Copper(I)-Catalyzed Click Reaction
• Authors of publication: Wei-Zhong Chen; Phillip E. Fanwick; Tong Ren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3429 - 3431
• a: 29.1361 ± 0.0013 Å
• b: 29.1361 ± 0.0013 Å
• c: 55.364 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 40702 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No