Information card for entry 4121434

Structure parameters

• Formula: C192 H177 Cu8 F48 N39.5 O8.25 P8
• Calculated formula: C192 H165 Cu8 F48 N39.5 O8.25 P8
• 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: 18.067 ± 0.004 Å
• b: 22.497 ± 0.005 Å
• c: 32.866 ± 0.007 Å
• α: 78.64 ± 0.03°
• β: 80.51 ± 0.03°
• γ: 82.79 ± 0.03°
• Cell volume: 12858 ± 5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.1541
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2336
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No