Information card for entry 4344405

Structure parameters

• Formula: C114 H124 Br4 N38 Ni8 O3
• Calculated formula: C114 H124 Br4 N38 Ni8 O3
• Title of publication: Solvothermal Subcomponent Self-Assembly of Cubic Metal-Imidazolate Cages and Their Coordination Polymers.
• Authors of publication: Luo, Dong; Zhou, Xiao-Ping; Li, Dan
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10822 - 10828
• a: 16.8181 ± 0.0014 Å
• b: 19.3731 ± 0.0014 Å
• c: 19.1713 ± 0.0014 Å
• α: 90°
• β: 97.69°
• γ: 90°
• Cell volume: 6190.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1939
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No