Information card for entry 7041848

Structure parameters

• Chemical name: Compound2
• Formula: C34 H32 Cl2 N10 O12 Ru2 S2
• Calculated formula: C34 H32 Cl2 N10 O12 Ru2 S2
• SMILES: [Ru]12345[Ru]6(OC(=[O]4)C)([O]=C(O1)C)([n]1c4[n]2cccc4ccc1c1scc[n]61)[n]1c2[n]3c(c3scc[n]53)ccc2ccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].CC#N.C(#N)C.N#CC.C(#N)C
• Title of publication: Inter-ligand electronic coupling mediated through a dimetal bridge: dependence on metal ions and ancillary ligands.
• Authors of publication: Majumdar, Moumita; Saha, Sayantani; Dutta, Indranil; Sinha, Arup; Bera, Jitendra K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5660 - 5669
• a: 12.3747 ± 0.0012 Å
• b: 17.9206 ± 0.0019 Å
• c: 19.028 ± 0.002 Å
• α: 90°
• β: 91.2 ± 0.002°
• γ: 90°
• Cell volume: 4218.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0986
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No