Information card for entry 4328266

Structure parameters

• Formula: C54 H100 Cl14 O4 P4 Ru2
• Calculated formula: C54 H100 Cl14 O4 P4 Ru2
• SMILES: C(=C\c1cc(c(/C=C/[Ru]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(C#[O])Cl)cc1OC)OC)/[Ru]([P](C(C)C)(C(C)C)C(C)C)(Cl)([P](C(C)C)(C(C)C)C(C)C)C#[O].C(Cl)(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Fully Delocalized (Ethynyl)(vinyl)phenylene Bridged Triruthenium Complexes in up to Five Different Oxidation States
• Authors of publication: Evelyn Wuttke; Florian Pevny; Yves-Marie Hervault; Lucie Norel; Malte Drescher; Rainer F. Winter; Stéphane Rigaut
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1902 - 1915
• a: 9.2229 ± 0.0018 Å
• b: 11.547 ± 0.002 Å
• c: 18.729 ± 0.004 Å
• α: 96.58 ± 0.03°
• β: 93.34 ± 0.03°
• γ: 110.62 ± 0.03°
• Cell volume: 1844 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No