Information card for entry 4340330

Structure parameters

• Formula: C76 H56 Cl4 N10 O12 Ru2
• Calculated formula: C76 H56 Cl4 N10 O12 Ru2
• SMILES: c1c(ccc(c1)OC)[N]1=C2C(=[N](c3ccc(OC)cc3)[Ru]341([n]1ccccc1c1[n]3c(c3[n]5c1c1[n](cccc1)[Ru]15([N](c5ccc(cc5)OC)=C5C(=[N]1c1ccc(OC)cc1)c1cccc6cccc5c16)([n]1c3cccc1)Cl)c1[n]4cccc1)Cl)c1cccc3cccc2c13.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 30.8584 ± 0.0008 Å
• b: 14.7627 ± 0.0004 Å
• c: 14.3067 ± 0.0004 Å
• α: 90°
• β: 99.176 ± 0.002°
• γ: 90°
• Cell volume: 6434.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No