Information card for entry 4340328

Structure parameters

• Formula: C34 H28 Cl2 N2 O4 Ru
• Calculated formula: C34 H28 Cl2 N2 O4 Ru
• SMILES: [Ru]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)[N](c1ccc(Cl)cc1)=C1C(=[N]3c2ccc(Cl)cc2)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: 11.6789 ± 0.0003 Å
• b: 13.8716 ± 0.0003 Å
• c: 20.1947 ± 0.0005 Å
• α: 107.434 ± 0.002°
• β: 90.346 ± 0.002°
• γ: 90.358 ± 0.002°
• Cell volume: 3121.18 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0501
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No