Information card for entry 1575914

Structure parameters

• Formula: C20 H18 N2 S
• Calculated formula: C20 H18 N2 S
• 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: 9.5662 ± 0.0006 Å
• b: 9.8044 ± 0.0007 Å
• c: 10.6648 ± 0.0007 Å
• α: 105.084 ± 0.005°
• β: 93.119 ± 0.005°
• γ: 118.45 ± 0.005°
• Cell volume: 830.2 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No