Information card for entry 4340329

Structure parameters

• Formula: C34 H30 N2 O4 Ru
• Calculated formula: C34 H30 N2 O4 Ru
• SMILES: [Ru]123([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[N](c1ccccc1)=C1C(=[N]3c2ccccc2)c2cccc3cccc1c23
• Title of publication: Sensitivity of a Strained C-C Single Bond to Charge Transfer: Redox Activity in Mononuclear and Dinuclear Ruthenium Complexes of Bis(arylimino)acenaphthene (BIAN) Ligands.
• Authors of publication: Mondal, Prasenjit; Agarwala, Hemlata; Jana, Rahul Dev; Plebst, Sebastian; Grupp, Anita; Ehret, Fabian; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7389 - 7403
• a: 11.8301 ± 0.0009 Å
• b: 12.5877 ± 0.0009 Å
• c: 20.3389 ± 0.0013 Å
• α: 105.246 ± 0.006°
• β: 90.936 ± 0.006°
• γ: 92.43 ± 0.006°
• Cell volume: 2918.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No