Information card for entry 7102232

Structure parameters

• Formula: C230 H202 B4 Cl4 F96 Fe4 N12 O12
• Calculated formula: C212 H158 B4 F96 Fe4 N12 O8
• 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: 18.427 ± 0.003 Å
• b: 19.209 ± 0.003 Å
• c: 19.274 ± 0.003 Å
• α: 88.204 ± 0.003°
• β: 72.32 ± 0.002°
• γ: 76.923 ± 0.002°
• Cell volume: 6326.4 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No