Information card for entry 4121438

Structure parameters

• Formula: C416 H646 Au3 B0 Cu8 F56 N74 O38 Sb7
• Calculated formula: C188 H152 Au3 Cu8 N36
• Title of publication: Empirical and Theoretical Insights into the Structural Features and Host-Guest Chemistry of M8L4 Tube Architectures.
• Authors of publication: Meng, Wenjing; League, Aaron B.; Ronson, Tanya K.; Clegg, Jack K.; Isley, 3rd, William C; Semrouni, David; Gagliardi, Laura; Cramer, Christopher J.; Nitschke, Jonathan R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 10
• Pages of publication: 3972 - 3980
• a: 23.054 ± 0.0005 Å
• b: 47.6698 ± 0.0016 Å
• c: 23.0934 ± 0.0005 Å
• α: 90°
• β: 90.249 ± 0.002°
• γ: 90°
• Cell volume: 25378.9 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1538
• Residual factor for significantly intense reflections: 0.1457
• Weighted residual factors for significantly intense reflections: 0.3618
• Weighted residual factors for all reflections included in the refinement: 0.3709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.595
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No