Information card for entry 4348510

Structure parameters

• Formula: C33 H22 Cl2 N4 O5 Ru
• Calculated formula: C33 H22 Cl2 N4 O5 Ru
• SMILES: [Ru]123(Cl)([O]=C4C(=[N]2c2ccccc2)c2c5c4cccc5ccc2)[n]2c(c4[n]1c(c1[n]3cccc1)ccc4)cccc2.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: 11.666 ± 0.003 Å
• b: 12.356 ± 0.004 Å
• c: 12.685 ± 0.003 Å
• α: 84.316 ± 0.018°
• β: 73.623 ± 0.015°
• γ: 67.642 ± 0.012°
• Cell volume: 1622.3 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.15 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: 0.0627
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No