Information card for entry 7701971

Structure parameters

• Formula: C22 H25 Cl Cu2 N12 O4
• Calculated formula: C22 H25 Cl Cu2 N12 O4
• Title of publication: Coordination-Driven Self-Assembly of M10L8 Metal-Organic Bi-capped Square Antiprisms with Adaptable Cavity
• Authors of publication: Wang, Xue-Zhi; Sun, Meng-Ying; Zheng, Ji; Luo, Dong; Li, Qi; Zhou, Xiao-Ping; Li, Dan
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 9.4211 ± 0.0005 Å
• b: 14.8334 ± 0.0005 Å
• c: 21.6671 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3027.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No