Information card for entry 4332144

Structure parameters

• Formula: C26 H14 Cl2 N6 O12 Ru2 S2
• Calculated formula: C26 H14 Cl2 N6 O12 Ru2 S2
• SMILES: C(#[O])[Ru]123(C#[O])[n]4ccsc4c4ccc5ccc[n](c5[n]14)[Ru]13(C#[O])(C#[O])[n]3ccsc3c3ccc4ccc[n]2c4[n]13.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 24.253 ± 0.005 Å
• b: 8.804 ± 0.005 Å
• c: 16.993 ± 0.005 Å
• α: 90 ± 0.005°
• β: 124.391 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2994 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No