Information card for entry 7249260

Structure parameters

• Formula: C72 H132 Cu10 I12 Mo2 N18 O6 S8
• Calculated formula: C54 H90 Cu10 I12 Mo2 N12 S8
• 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: 11.839 ± 0.0007 Å
• b: 13.8931 ± 0.0008 Å
• c: 21.9722 ± 0.0014 Å
• α: 82.885 ± 0.004°
• β: 77.181 ± 0.004°
• γ: 89.955 ± 0.003°
• Cell volume: 3495.5 ± 0.4 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No