Information card for entry 7249263

Structure parameters

• Formula: C30 H51 Br Cl3 Cu3 N6 S4 W
• Calculated formula: C30 H51 Br Cl3 Cu3 N6 S4 W
• Title of publication: Coordination polymers and supramolecular cages based on [(MS4)Cux]x-2 cluster units and N-containing ligands
• Authors of publication: Xu, Meng-Yuan; Wu, Qian; Wang, Chen; Sun, Yao; Teng, Yu-Kang; Zhang, Rui; Lu, Zhenzhong
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 19.6933 ± 0.0003 Å
• b: 19.6933 ± 0.0003 Å
• c: 19.6933 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7637.6 ± 0.2 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 8
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No