Information card for entry 7119053

Structure parameters

• Formula: C182 H256 N2 O16 P8 Ru4
• Calculated formula: C182 H256 N2 O16 P8 Ru4
• SMILES: C/1=C\c2ccc(cc2)/C=C/[Ru]2([O]=C(O2)c2cc(cc(c2)N(c2ccc(OC)cc2)c2ccc(OC)cc2)C2=[O][Ru](O2)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(C#[O])/C=C/c2ccc(cc2)/C=C/[Ru]2([O]=C(O2)c2cc(cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)c2)C2=[O][Ru]1(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])([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O].c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 16.1117 ± 0.0013 Å
• b: 26.6027 ± 0.0013 Å
• c: 21.6003 ± 0.0014 Å
• α: 90°
• β: 100.029 ± 0.006°
• γ: 90°
• Cell volume: 9116.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2465
• Weighted residual factors for all reflections included in the refinement: 0.2634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No