Information card for entry 7029039

Structure parameters

• Formula: C20 H20 N2 S2
• Calculated formula: C20 H20 N2 S2
• SMILES: S(c1ccccc1N)Cc1c(cccc1)CSc1c(N)cccc1
• Title of publication: Binuclear ruthenium η(6)-arene complexes with tetradentate N,S-ligands containing the ortho-aminothiophenol motif.
• Authors of publication: Acosta-Ramirez, Alberto; Cross, Edward D.; McDonald, Robert; Bierenstiel, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3104 - 3113
• a: 8.4685 ± 0.0003 Å
• b: 12.1683 ± 0.0004 Å
• c: 17.2063 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1773.06 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No