Information card for entry 7249258

Structure parameters

• Formula: C49 H49 Cu4 I2 N11 O3 S4 W
• Calculated formula: C49 H49 Cu4 I2 N11 O3 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: 13.515 ± 0.0004 Å
• b: 17.6465 ± 0.0007 Å
• c: 28.1103 ± 0.0009 Å
• α: 90°
• β: 93.475 ± 0.002°
• γ: 90°
• Cell volume: 6691.8 ± 0.4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No