Information card for entry 4332142

Structure parameters

• Formula: C26 H18 Cl6 F6 N4 O10 Ru2 S2
• Calculated formula: C26 H18 Cl6 F6 N4 O10 Ru2 S2
• SMILES: C(#[O])[Ru]12(C#[O])([n]3cc(cc4c3[n](ccc4)[Ru]2(C#[O])(C#[O])([n]2cc(cc3c2[n]1ccc3)C)OS(=O)(=O)C(F)(F)F)C)OS(=O)(=O)C(F)(F)F.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Effects of Axial Coordination on the Ru−Ru Single Bond in Diruthenium Paddlewheel Complexes
• Authors of publication: Patra, Sanjib K.; Sadhukhan, Nabanita; Bera, Jitendra K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4007 - 4015
• a: 16.81 ± 0.003 Å
• b: 13.98 ± 0.003 Å
• c: 16.714 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3927.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No