Information card for entry 1560303

Structure parameters

• Formula: C126 H116 P8 Ru2 S Si2
• Calculated formula: C126 H116 P8 Ru2 S 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: 10.107 ± 0.0012 Å
• b: 15.3835 ± 0.0018 Å
• c: 37.02 ± 0.004 Å
• α: 83.51 ± 0.002°
• β: 89.395 ± 0.002°
• γ: 86.371 ± 0.002°
• Cell volume: 5707.5 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0333
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No