Information card for entry 7701973

Structure parameters

• Formula: C11 H13 Br Cu N6
• Calculated formula: C11 H13 Br Cu N6
• 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: 9.1003 ± 0.0002 Å
• b: 9.0877 ± 0.0002 Å
• c: 15.9711 ± 0.0003 Å
• α: 90°
• β: 90.77 ± 0.002°
• γ: 90°
• Cell volume: 1320.7 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1332
• 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