Information card for entry 7249257

Structure parameters

• Chemical name: 123
• Formula: C72 H56.82 Cu4 I2 N14 O2 S4 W
• Calculated formula: C65.9996 H42.812 Cu4 I2 N12.0004 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: 45.2038 ± 0.0008 Å
• b: 19.0461 ± 0.0003 Å
• c: 28.9481 ± 0.0005 Å
• α: 90°
• β: 114.7 ± 0.001°
• γ: 90°
• Cell volume: 22642.8 ± 0.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No