Information card for entry 4347336

Structure parameters

• Formula: C61 H46 Cl4 N14 O10 Ru2
• Calculated formula: C61 H46 Cl4 N14 O10 Ru2
• SMILES: [Ru]123(Oc4c5n([Ru]67(Oc8c5n1c1c8cccc1)([N](=Nc1[n]6cccc1)c1ccccc1)[n]1c(N=[N]7c5ccccc5)cccc1)c1c4cccc1)([N](=Nc1[n]2cccc1)c1ccccc1)[n]1ccccc1N=[N]3c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Noninnocence of Indigo: Dehydroindigo Anions as Bridging Electron-Donor Ligands in Diruthenium Complexes.
• Authors of publication: Mondal, Prasenjit; Chatterjee, Madhumita; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 3105 - 3116
• a: 14.805 ± 0.003 Å
• b: 20.504 ± 0.004 Å
• c: 20.065 ± 0.005 Å
• α: 90°
• β: 92.677 ± 0.004°
• γ: 90°
• Cell volume: 6084 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No