Information card for entry 7719005

Structure parameters

• Formula: C63.98 H58.95 Ag F6 N2 O0.5 P5 S2
• Calculated formula: C63.989 H58.967 Ag F6 N2 O0.5 P5 S2
• 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: 13.582 ± 0.0014 Å
• b: 21.259 ± 0.003 Å
• c: 23.026 ± 0.003 Å
• α: 87.876 ± 0.006°
• β: 78.36 ± 0.005°
• γ: 82.975 ± 0.004°
• Cell volume: 6462.4 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No