Information card for entry 7102230

Structure parameters

• Formula: C100 H131 Cl4 Cu4 N18 O27
• Calculated formula: C88 H115 Cl4 Cu4 N12 O26
• 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: 14.585 ± 0.004 Å
• b: 19.674 ± 0.006 Å
• c: 22.666 ± 0.007 Å
• α: 74.847 ± 0.005°
• β: 71.428 ± 0.005°
• γ: 69.732 ± 0.005°
• Cell volume: 5699 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1653
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No