Information card for entry 4304951

Structure parameters

• Formula: C228 H195 Cu6 F72 N39 O15 P12
• Calculated formula: C228 H186 Cu6 F72 N39 O15 P12
• Title of publication: Self-Assembly of a Copper(II)-Based Metallosupramolecular Hexagon
• Authors of publication: Eugenio Coronado; José Ramón Galan-Mascaros; Pablo Gaviña; Carlos Martí-Gastaldo; Francisco M. Romero; Sergio Tatay
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5197 - 5203
• a: 24.651 ± 0.002 Å
• b: 24.651 ± 0.002 Å
• c: 38.492 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20257 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.4187
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.718
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No