Information card for entry 7701974

Structure parameters

• Formula: C88 H96 Br Cu10 N48
• Calculated formula: C88 H96 Br Cu10 N48
• 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: 19.2461 ± 0.0002 Å
• b: 19.2461 ± 0.0002 Å
• c: 14.4823 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5364.42 ± 0.14 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No