Information card for entry 4339759

Structure parameters

• Formula: C114 H96 Cl4 N6 O4 P4 Ru2 S2
• Calculated formula: C114 H92 Cl4 N6 O4 P4 Ru2 S2
• SMILES: s1c(C#C[Ru]23(OC(=N[N]3=Cc3[n]2cccc3)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1c1sc(C#C[Ru]23([n]4ccccc4C=[N]2N=C(O3)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.C(CCl)Cl.O.C(CCl)Cl.O
• 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: 10.33 ± 0.004 Å
• b: 13.537 ± 0.005 Å
• c: 19.439 ± 0.006 Å
• α: 81.008 ± 0.008°
• β: 82.97 ± 0.009°
• γ: 82.577 ± 0.007°
• Cell volume: 2647.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No