Information card for entry 7119054

Structure parameters

• Formula: C148 H234 Cl16 N2 O16 P8 Ru4
• Calculated formula: C148 H234 Cl16 N2 O16 P8 Ru4
• SMILES: C\1=C/c2ccc(cc2)C=C[Ru]2([O]=C(O2)c2cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc(c2)C2=[O][Ru](/C=C/c3ccc(/C=C/[Ru]4([O]=C(O4)c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc(c4)C4=[O][Ru]1(O4)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O])([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O])cc3)(O2)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O])([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O].C(Cl)Cl.C(Cl)Cl.ClCCl.ClCCl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Redox-active tetraruthenium metallacycles: reversible release of up to eight electrons resulting in strong electrochromism
• Authors of publication: Daniel Fink; Bernhard Weibert; Rainer F. Winter
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6103
• a: 11.6168 ± 0.0019 Å
• b: 16.816 ± 0.002 Å
• c: 23.594 ± 0.004 Å
• α: 94.41 ± 0.012°
• β: 99.289 ± 0.012°
• γ: 107.587 ± 0.012°
• Cell volume: 4297.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.2303
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No