Information card for entry 1563900

Structure parameters

• Formula: C32 H40 Ru2 S4
• Calculated formula: C32 H40 Ru2 S4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ru]162345SS[Ru]2345([c]7([c]2([c]3([c]4([c]57C)C)C)C)C)([S]1c1ccccc1)[S]6c1ccccc1)C)C)C)C
• Title of publication: Chalcogenolato-bridged dinuclear half sandwich complexes of ruthenium and iridium
• Authors of publication: Joseph, Benson; Saha, Koushik; Prakash, Rini; Nandi, Chandan; Roisnel, Thierry; Ghosh, Sundargopal
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 483
• Pages of publication: 106 - 110
• a: 8.4372 ± 0.0009 Å
• b: 21.706 ± 0.003 Å
• c: 19.622 ± 0.002 Å
• α: 90°
• β: 101.986 ± 0.004°
• γ: 90°
• Cell volume: 3515.2 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No