Information card for entry 1575917

Structure parameters

• Formula: C82 H72 Cl4 Mo2 N8 S4
• Calculated formula: C82 H72 Cl4 Mo2 N8 S4
• Title of publication: Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.
• Authors of publication: Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 41
• Pages of publication: 24226 - 24240
• a: 14.97951 ± 0.00006 Å
• b: 17.60118 ± 0.00008 Å
• c: 15.10734 ± 0.00007 Å
• α: 90°
• β: 90.2255 ± 0.0004°
• γ: 90°
• Cell volume: 3983.13 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No