Information card for entry 7111068

Structure parameters

• Formula: C166 H166 N16 Ru4 Si2
• Calculated formula: C166 H166 N16 Ru4 Si2
• SMILES: C(#CC#C[Ru]1234[N](=CN(c5ccccc5)[Ru]2(C#CC#C[Si](C)(C)C)(N(C=[N]1c1ccccc1)c1ccccc1)(N(C=[N]3c1ccccc1)c1ccccc1)N(C=[N]4c1ccccc1)c1ccccc1)c1ccccc1)C#CC#C[Ru]1234[N](=CN(c5ccccc5)[Ru]4(C#CC#C[Si](C)(C)C)(N(C=[N]1c1ccccc1)c1ccccc1)(N(C=[N]2c1ccccc1)c1ccccc1)N(C=[N]3c1ccccc1)c1ccccc1)c1ccccc1.Cc1ccccc1.Cc1ccccc1.CCCCCC.Cc1ccccc1.Cc1ccccc1.CCCCCC
• Title of publication: Nanoscale molecular organometallo-wires containing diruthenium cores
• Authors of publication: Wong, Ken-Tsung; Lehn, Jean-Marie; Peng, Shie-Ming; Lee, Gene-Hsiang
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 2259
• a: 46.3325 ± 0.0012 Å
• b: 13.626 ± 0.0004 Å
• c: 27.5394 ± 0.0007 Å
• α: 90°
• β: 118.194 ± 0.001°
• γ: 90°
• Cell volume: 15323.5 ± 0.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2144
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections: 0.3377
• Weighted residual factors for significantly intense reflections: 0.2771
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No