Information card for entry 4325766

Structure parameters

• Formula: C40 H30 N2 O12 Ru2
• Calculated formula: C40 H30 N2 O12 Ru2
• SMILES: [Ru]123(OC(=O)c4[n]3cc3[n]([Ru]56(OC3=O)(OC(=CC(=[O]5)C)C)OC(=CC(=[O]6)C)C)c4)(OC(=CC(=[O]1)C)C)OC(=CC(=[O]2)C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Reductive Approach to Mixed Valency (n= 1-) in the Pyrazine Ligand-Bridged [(acac)2Ru(μ-L2-)Ru(acac)2]n (L2- = 2,5-Pyrazine-dicarboxylate) through Experiment and Theory
• Authors of publication: Amit Das; Thomas Scherer; Somnath Maji; Tapan Kumar Mondal; Shaikh M. Mobin; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7040 - 7049
• a: 30.953 ± 0.003 Å
• b: 20.226 ± 0.0019 Å
• c: 14.1304 ± 0.0015 Å
• α: 90°
• β: 107.243 ± 0.011°
• γ: 90°
• Cell volume: 8448.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.1186
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No