Information card for entry 7011554

Structure parameters

• Formula: C45 H38 Cl2 N10 O10 Ru2 S
• Calculated formula: C45 H36 Cl2 N10 O10 Ru2 S
• SMILES: [Ru]123([n]4c(cccc4)c4[n]1cccc4)([n]1c(cccc1)c1[n]2cccc1)Sc1[n]2[Ru]45([n]6c(cccc6)c6[n]4cccc6)([n]4c(cccc4)c4[n]5cccc4)Oc2cc([n]31)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Dinuclear bis(bipyridine)ruthenium(ii) complexes [(bpy)2RuII{L}2‒RuII(bpy)2]2+ incorporating thiouracil-based dianionic asymmetric bridging ligands: synthesis, structure, redox and spectroelectrochemical properties
• Authors of publication: Chakraborty, Soma; Laye, Rebecca H.; Munshi, Pradip; Paul, Rowena L.; Ward, Michael D.; Kumar Lahiri, Goutam
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 2348
• a: 33.66 ± 0.005 Å
• b: 15.466 ± 0.002 Å
• c: 21.098 ± 0.003 Å
• α: 90°
• β: 124.033 ± 0.002°
• γ: 90°
• Cell volume: 9102 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0917
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No