Information card for entry 4339760

Structure parameters

• Formula: C110 H90 N6 O3 P4 Ru2
• Calculated formula: C110 H90 N6 O3 P4 Ru2
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)(OC(=N[N]2=Cc2[n]1cccc2)c1ccccc1)C#CC#CC#CC#C[Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)OC(=N[N]2=Cc2[n]1cccc2)c1ccccc1.O(CC)CC
• Title of publication: Wirelike dinuclear ruthenium complexes connected by bis(ethynyl)oligothiophene.
• Authors of publication: Gao, Li-Bin; Kan, Jian; Fan, Yang; Zhang, Li-Yi; Liu, Sheng-Hua; Chen, Zhong-Ning
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 5651 - 5664
• a: 11.783 ± 0.002 Å
• b: 18.919 ± 0.004 Å
• c: 22.607 ± 0.005 Å
• α: 109.165 ± 0.002°
• β: 96.648 ± 0.003°
• γ: 96.144 ± 0.002°
• Cell volume: 4671.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0584
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No