Information card for entry 7114045

Structure parameters

• Formula: C44 H38 Ag2 B2 F8 N13 O0.5
• Calculated formula: C44 H38 Ag2 B2 F8 N13 O0.5
• Title of publication: A self-complementary molecular cleftElectronic supplementary information (ESI) available: assignment of the 1H NMR spectrum of [Ag21](BF4)2 in CD3CN solution. See http://www.rsc.org/suppdata/cc/b2/b205831f/
• Authors of publication: McMorran, David A.; Steel, Peter J.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2120
• a: 15.177 ± 0.005 Å
• b: 24.188 ± 0.009 Å
• c: 25.01 ± 0.009 Å
• α: 90°
• β: 102.044 ± 0.005°
• γ: 90°
• Cell volume: 8979 ± 6 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No