Information card for entry 4348508

Structure parameters

• Formula: C40.5 H29.5 Cl3 N5.5 O4 Ru
• Calculated formula: C40.5 H29.5 Cl3 N5.5 O4 Ru
• SMILES: [Ru]123(Cl)([n]4c(c5[n]1cccc5)cccc4c1[n]2cccc1)[N](c1ccccc1)=C1C(=[N]3c2ccccc2)c2c3c1cccc3ccc2.Cl(=O)(=O)(=O)[O-].ClCCl.N#CC
• 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: 17.999 ± 0.003 Å
• b: 19.834 ± 0.003 Å
• c: 22.541 ± 0.003 Å
• α: 90°
• β: 110.037 ± 0.002°
• γ: 90°
• Cell volume: 7560 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No