Information card for entry 4104545

Structure parameters

• Formula: C44 H30 Ag2 B2 F10 N10 O8
• Calculated formula: C44 H30 Ag2 B2 F10 N10 O8
• Title of publication: Coordination-Driven Self-Assembly of a Discrete Molecular Cage and an Infinite Chain of Coordination Cages Based on ortho-Linked Oxacalix[2]benzene[2]pyrazine and Oxacalix[2]arene[2]pyrazine
• Authors of publication: Ming-Liang Ma; Xiao-Yan Li; Ke Wen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8338 - 8339
• a: 10.7389 ± 0.0004 Å
• b: 20.9329 ± 0.0007 Å
• c: 20.7871 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4672.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No