Information card for entry 4301642

Structure parameters

• Formula: C50 H Cl2 N9 O2 Ru2
• Calculated formula: C52 H54 Cl2 N2 O4 Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cc(cc2)COC(=O)CCCc1c2ccc3cccc4ccc(cc1)c2c34)C(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O
• Title of publication: Controlled Reversible Immobilization of Ru Carbene on Single-Walled Carbon Nanotubes: A New Strategy for Green Catalytic Systems Based on a Solvent Effect on π-π Interaction
• Authors of publication: Guiyan Liu; Bin Wu; Jianzheng Zhang; Xiaoli Wang; Mingbo Shao; Jianhui Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2383 - 2390
• a: 11.27 ± 0.003 Å
• b: 13.709 ± 0.003 Å
• c: 30.786 ± 0.008 Å
• α: 90°
• β: 97.846 ± 0.004°
• γ: 90°
• Cell volume: 4712 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.1596
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No