Information card for entry 7123249

Structure parameters

• Formula: C158 H188 Br16 Co8 N38 O15
• Calculated formula: C144 H132 Br16 Co8 N36
• Title of publication: Control over synthesis of homovalent and mixed-valent cubic cobalt-imidazolate cages
• Authors of publication: Liang, Liang; Luo, Dong; Zuo, Tao; Zhou, Xiao-Ping; Li, Dan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 21.5387 ± 0.0003 Å
• b: 21.5387 ± 0.0003 Å
• c: 21.5387 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9992.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.1776
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No