Information card for entry 4104546

Structure parameters

• Formula: C11.75 H7.75 Ag0.25 B0.25 F1.25 N2 O2
• Calculated formula: C11.75 H7.75 Ag0.25 B0.25 F1.25 N2 O2
• 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: 12.6692 ± 0.0003 Å
• b: 21.3336 ± 0.0005 Å
• c: 7.9208 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2140.83 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No