Information card for entry 4331560

Structure parameters

• Formula: C92 H132 Ag6 F18 N12 O43 S6
• Calculated formula: C92 H132 Ag6 F18 N12 O43 S6
• Title of publication: Crown Bowl: Metallocyclophane by Self-Assembly of 4‘-Pyridylmethyl-Armed 12-Crown-4 Ethers with Ag+Ions
• Authors of publication: Habata, Yoichi; Yamada, Sachiko; Osaka, Futoshi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 987 - 991
• a: 12.6204 ± 0.001 Å
• b: 16.1678 ± 0.0013 Å
• c: 18.0139 ± 0.0014 Å
• α: 66.149 ± 0.001°
• β: 74.902 ± 0.002°
• γ: 70.12 ± 0.002°
• Cell volume: 3128.9 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No