Information card for entry 4348506

Structure parameters

• Formula: C39 H25 Cl2 N7 O8 Ru
• Calculated formula: C39 H25 Cl2 N7 O8 Ru
• SMILES: [Ru]123(Cl)([n]4c(c5[n]1cccc5)cccc4c1[n]2cccc1)[N](c1ccc(N(=O)=O)cc1)=C1C(=[N]3c2ccc(N(=O)=O)cc2)c2cccc3cccc1c23.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: 13.827 ± 0.004 Å
• b: 16.888 ± 0.006 Å
• c: 19.105 ± 0.007 Å
• α: 74.465 ± 0.016°
• β: 70.471 ± 0.017°
• γ: 71.882 ± 0.016°
• Cell volume: 3929 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No