Information card for entry 1560302

Structure parameters

• Formula: C198 H178 P12 Ru3 S2 Si2
• Calculated formula: C198 H178 P12 Ru3 S2 Si2
• Title of publication: Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction
• Authors of publication: Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4338 - 4344
• a: 12.3659 ± 0.0003 Å
• b: 17.9279 ± 0.0005 Å
• c: 20.5933 ± 0.0005 Å
• α: 108.974 ± 0.002°
• β: 100.29 ± 0.002°
• γ: 100.6 ± 0.002°
• Cell volume: 4101.7 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.1114
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.2561
• Weighted residual factors for all reflections included in the refinement: 0.2693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No