Information card for entry 7102233

Structure parameters

• Formula: C88 H125 Cu4 F12 N12 O26.5 S4
• Calculated formula: C88 H116 Cu4 F12 N12 O26.5 S4
• Title of publication: Self-assembling of nanoscopic molecular rectangles, extended helicates and porous-like materials based on macrocyclic dicopper building blocks under fine supramolecular control.
• Authors of publication: Gómez, Laura; Company, Anna; Fontrodona, Xavier; Ribas, Xavi; Costas, Miquel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4410 - 4412
• a: 36.414 ± 0.011 Å
• b: 11.889 ± 0.004 Å
• c: 25.772 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11158 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1837
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.245
• Weighted residual factors for all reflections included in the refinement: 0.2962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No