Information card for entry 7042555

Structure parameters

• Formula: C58 H43 Cl2 N11 O10 Ru2
• Calculated formula: C58 H43 Cl2 N11 O10 Ru2
• SMILES: [Ru]123(Oc4c5n([Ru]67(Oc8c5n2c2ccccc82)([n]2c(c5[n]6cccc5)cccc2)[n]2ccccc2c2[n]7cccc2)c2ccccc42)([n]2ccccc2c2[n]1cccc2)[n]1c(c2[n]3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CC#N
• 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: 12.9402 ± 0.0005 Å
• b: 15.178 ± 0.0004 Å
• c: 15.4382 ± 0.0004 Å
• α: 81.868 ± 0.002°
• β: 69.543 ± 0.003°
• γ: 73.626 ± 0.003°
• Cell volume: 2722.6 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No