Information card for entry 7717184

Structure parameters

• Formula: C23 H26 N2 S2
• Calculated formula: C23 H26 N2 S2
• Title of publication: Helical dinuclear 3d metal complexes with bis(bidentate) [S,N] ligands: synthesis, structural and computational studies
• Authors of publication: Allen, Jamie; Saßmannshausen, Jörg; Singh, Kuldip; Kilpatrick, Alexander F. R.
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.0998 ± 0.0003 Å
• b: 10.7648 ± 0.0004 Å
• c: 12.9362 ± 0.0005 Å
• α: 99.922 ± 0.002°
• β: 92.378 ± 0.002°
• γ: 110.1 ± 0.002°
• Cell volume: 1037.2 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0654
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No