Information card for entry 4348507

Structure parameters

• Formula: C41 H31 Cl2 N5 O6 Ru
• Calculated formula: C41 H31 Cl2 N5 O6 Ru
• SMILES: [Ru]123(Cl)([N](=C4C(=[N]1c1ccc(OC)cc1)c1c5c4cccc5ccc1)c1ccc(OC)cc1)[n]1c(c4[n]3cccc4)cccc1c1[n]2cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Electronic Structure and Multicatalytic Features of Redox-Active Bis(arylimino)acenaphthene (BIAN)-Derived Ruthenium Complexes.
• Authors of publication: Singha Hazari, Arijit; Ray, Ritwika; Hoque, Md Asmaul; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 8160 - 8173
• a: 12.5917 ± 0.001 Å
• b: 12.843 ± 0.01 Å
• c: 14.364 ± 0.012 Å
• α: 111.359 ± 0.014°
• β: 90.515 ± 0.011°
• γ: 97.492 ± 0.001°
• Cell volume: 2141 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0635
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No