Information card for entry 1515510

Structure parameters

• Formula: C56.15 H47.03 Co1.58 F24 N8 O7.09 P4
• Calculated formula: C56.154 H47.032 Co1.576 F24 N8 O7.092 P4
• 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: 22.9688 ± 0.001 Å
• b: 18.0778 ± 0.0006 Å
• c: 21.4031 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8887.1 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.1821
• Residual factor for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections: 0.2606
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No