Information card for entry 4340331

Structure parameters

• Formula: C36 H34 N2 O4 Ru
• Calculated formula: C36 H34 N2 O4 Ru
• SMILES: [Ru]123([O]=C(C)C=C(O1)C)([O]=C(C)C=C(O2)C)[N](c1ccc(cc1)C)=C1C(=[N]3c2ccc(cc2)C)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: 11.9357 ± 0.0006 Å
• b: 14.0574 ± 0.0008 Å
• c: 20.2303 ± 0.0011 Å
• α: 73.342 ± 0.005°
• β: 89.53 ± 0.004°
• γ: 88.403 ± 0.004°
• Cell volume: 3250.6 ± 0.3 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: 0.0664
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No