Information card for entry 4020671

Structure parameters

• Formula: C90.5 H90 Ag2 B2 Cl F8 N7 O8
• Calculated formula: C90.5 H90 Ag2 B2 Cl F8 N7 O8
• Title of publication: Bicyclo[2.2.2]octene-Based "Crab-like" Molecules: Synthesis, Complexation, Luminescence Properties, and Solid-State Structures
• Authors of publication: Teh-Chang Chou; Ching-Lun Hwa; Jin-Ju Lin; Kung-Ching Liao; Jui-Chang Tseng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9717 - 9726
• a: 24.6645 ± 0.0017 Å
• b: 17.5336 ± 0.0012 Å
• c: 19.816 ± 0.0014 Å
• α: 90°
• β: 98.469 ± 0.001°
• γ: 90°
• Cell volume: 8476.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1466
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No