Information card for entry 4316056

Structure parameters

• Formula: C74 H57 Cl4 N17 O11 Ru4
• Calculated formula: C74 H57 Cl4 N17 O11 Ru4
• SMILES: [Ru]123(Cl)(OC(=O)c4[n]3cccc4)[n]3ccccc3c3[n]1c(c1[n]4[Ru]5(Cl)(OC(=O)c6[n]5cccc6)([n]5ccccc5c34)[n]3ccccc13)c1[n]2cccc1.CC#N.O.O
• Title of publication: Carboxylate Tolerance of the Redox-Active Platform [Ru(μ-tppz)Ru]n, where tppz = 2,3,5,6-Tetrakis(2-pyridyl)pyrazine, in the Electron-Transfer Series [(L)ClRu(μ-tppz)RuCl(L)]n,n= 2+, +, 0, -, 2-, with 2-Picolinato, Quinaldato, and 8-Quinolinecarboxylato Ligands (L-)
• Authors of publication: Tanaya Kundu; Biprajit Sarkar; Tapan Kumar Mondal; Jan Fiedler; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6565 - 6574
• a: 15.412 ± 0.0002 Å
• b: 21.4214 ± 0.0003 Å
• c: 22.6136 ± 0.0003 Å
• α: 90°
• β: 104.508 ± 0.001°
• γ: 90°
• Cell volume: 7227.74 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No