Information card for entry 7107528

Structure parameters

• Formula: C63 H51.667 Ag2 B2 F8 N13 O4.333
• Calculated formula: C63 H51 Ag2 B1.66667 F6.66667 N13 O4.33333
• Title of publication: A triple helix of double helicates: three hierarchical levels of self-assembly in a single structure
• Authors of publication: Andrew Stephenson; Michael D. Ward
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3605
• a: 21.2675 ± 0.0006 Å
• b: 21.2675 ± 0.0006 Å
• c: 25.9142 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10150.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.3588
• Weighted residual factors for all reflections included in the refinement: 0.3673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.481
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No