Information card for entry 7041850

Structure parameters

• Chemical name: Compound4
• Formula: C32 H19 F6 N9 O10 Ru2 S2
• Calculated formula: C32 H19 F6 N9 O10 Ru2 S2
• SMILES: [Ru]123([Ru]4([n]5c6[n]2cccc6ccc5c2[n]4ccnc2)([n]2c4[n]1c(c1[n]3ccnc1)ccc4ccc2)(C#[O])C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.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: 14.5183 ± 0.0016 Å
• b: 13.3559 ± 0.0015 Å
• c: 22.198 ± 0.002 Å
• α: 90°
• β: 103.368 ± 0.002°
• γ: 90°
• Cell volume: 4187.7 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0954
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No