Information card for entry 4347337

Structure parameters

• Formula: C45 H35 Cl N8 O6 Ru
• Calculated formula: C45 H35 Cl N8 O6 Ru
• SMILES: [Ru]123(Oc4c([nH]c5c4cccc5)C4=[N]3c3c(C4=O)cccc3)([N](=Nc3[n]2cccc3)c2ccccc2)[n]2ccccc2N=[N]1c1ccccc1.Cl(=O)(=O)(=O)[O-].c1ccccc1C
• 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: 13.346 ± 0.003 Å
• b: 13.673 ± 0.004 Å
• c: 13.733 ± 0.003 Å
• α: 65.766 ± 0.015°
• β: 62.937 ± 0.014°
• γ: 77.553 ± 0.018°
• Cell volume: 2033.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No