Information card for entry 7123253

Structure parameters

• Formula: C162 H185 Br19 Co8 N40 O13
• Calculated formula: C154 H154 Br19 Co8 N38 O2
• 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: 30.59463 ± 0.00019 Å
• b: 19.5225 ± 0.00012 Å
• c: 33.3193 ± 0.0002 Å
• α: 90°
• β: 110.461 ± 0.0007°
• γ: 90°
• Cell volume: 18645.5 ± 0.2 ų
• Cell temperature: 100.1 ± 0.2 K
• Ambient diffraction temperature: 100.1 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2133
• Weighted residual factors for all reflections included in the refinement: 0.2153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No