Information card for entry 7110395

Structure parameters

• Formula: C19.25 H24.5 Ag Cl0.5 F3 N2 O3 S
• Calculated formula: C19.25 H24.5 Ag Cl0.5 F3 N2 O3 S
• Title of publication: 1,8-Diazabicyclo[6.6.6]eicosa-4,11,17-triyne: a flexible cage for protons, copper(I) and silver(I)
• Authors of publication: Kunze, Andreas; Gleiter, Rolf; Rominger, Frank
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 2
• Pages of publication: 171
• a: 13.4273 ± 0.0002 Å
• b: 13.9115 ± 0.0003 Å
• c: 14.0299 ± 0.0003 Å
• α: 65.582 ± 0.001°
• β: 73.275 ± 0.001°
• γ: 64.659 ± 0.001°
• Cell volume: 2137.02 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No