Information card for entry 7042556

Structure parameters

• Formula: C56 H40 Cl3 N10 O14 Ru2
• Calculated formula: C56 H40 Cl3 N10 O14 Ru2
• SMILES: [Ru]123(Oc4c5ccccc5n5[Ru]67(Oc8c9c(n1c8c45)cccc9)([n]1ccccc1c1[n]7cccc1)[n]1ccccc1c1[n]6cccc1)([n]1ccccc1c1[n]3cccc1)[n]1c(cccc1)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A structurally characterised redox pair involving an indigo radical: indigo based redox activity in complexes with one or two [Ru(bpy)2] fragments.
• Authors of publication: Chatterjee, Madhumita; Mondal, Prasenjit; Beyer, Katharina; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5091 - 5102
• a: 12.7946 ± 0.0003 Å
• b: 18.277 ± 0.0005 Å
• c: 24.8597 ± 0.0006 Å
• α: 90°
• β: 104.716 ± 0.003°
• γ: 90°
• Cell volume: 5622.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No