Information card for entry 7719004

Structure parameters

• Formula: C62 H54 Cu F6 N2 P0.5 S7
• Calculated formula: C62 H54 Cu F6 N2 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: 12.2541 ± 0.0013 Å
• b: 13.7569 ± 0.0015 Å
• c: 20.607 ± 0.002 Å
• α: 90°
• β: 107.028 ± 0.004°
• γ: 90°
• Cell volume: 3321.6 ± 0.6 ų
• Cell temperature: 199.99 K
• Ambient diffraction temperature: 199.99 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1286
• Residual factor for significantly intense reflections: 0.1184
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No