Information card for entry 1515503

Structure parameters

• Formula: C82 H74 Cl6 F48 N16 P8
• Calculated formula: C82 H74 Cl6 F48 N16 P8
• Title of publication: A dual-functional tetrakis-imidazolium macrocycle for supramolecular assembly
• Authors of publication: Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Beer, Paul D.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 494
• a: 10.061 ± 0.01 Å
• b: 10.107 ± 0.009 Å
• c: 30.25 ± 0.03 Å
• α: 94.45 ± 0.03°
• β: 97.31 ± 0.04°
• γ: 95.24 ± 0.04°
• Cell volume: 3026 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections: 0.2124
• Weighted residual factors for significantly intense reflections: 0.1993
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0207
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No