Information card for entry 7719003

Structure parameters

• Formula: C124 H108 Au2 F12 N4 P10 S4
• Calculated formula: C124 H108 Au2 F12 N4 P10 S4
• Title of publication: Metal ion independent conductance through bis-chelated metal complex molecular wires based on a bis(diphenylphosphino)aniline derivative
• Authors of publication: Gatto, Marco F.; Sangtarash, Sara; Jago, David; Abram, R. Tom; Barrett, Eleanor; Sil, Amit; Koutsantonis, George A.; Higgins, Simon J.; Robertson, Craig M.; Nichols, Richard J.; Sadeghi, Hatef; Vezzoli, Andrea
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 19
• Pages of publication: 7874 - 7881
• a: 12.2295 ± 0.0003 Å
• b: 21.7084 ± 0.0006 Å
• c: 24.2101 ± 0.0005 Å
• α: 74.296 ± 0.002°
• β: 89.995 ± 0.002°
• γ: 74.781 ± 0.002°
• Cell volume: 5953 ± 0.3 ų
• Cell temperature: 109 ± 14 K
• Ambient diffraction temperature: 109 ± 14 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2869
• Weighted residual factors for all reflections included in the refinement: 0.2983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.355
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No