Information card for entry 7160735

Structure parameters

• Formula: C32 H24 Cl2 N4 O8 Pb S4
• Calculated formula: C32 H24 Cl2 N4 O8 Pb S4
• Title of publication: Thiosquaramides: dual-function ionophores for Zn²⁺ and Cl^- with ion dependent anti-microbial activity.
• Authors of publication: Luo, Xuanyang; Brennan, Luke E.; Hawes, Chris S.; Krämer, Tobias; Farragher, John; Robinson, Shane; Kavanagh, Kevin; Elmes, Robert B. P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 9142 - 9151
• a: 17.8074 ± 0.0018 Å
• b: 19.4115 ± 0.0017 Å
• c: 21.364 ± 0.002 Å
• α: 90°
• β: 107.795 ± 0.003°
• γ: 90°
• Cell volume: 7031.5 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No