Information card for entry 7012443

Structure parameters

• Formula: C48.5 H39 Cu2 F12 N8 O P2
• Calculated formula: C48.5 H36 Cu2 F12 N8 O P2
• Title of publication: Metallo-supramolecular libraries: triangles, polymers and double-helicates assembled by copper(i) coordination to directly linked bis-pyridylimine ligands
• Authors of publication: Tuna, Floriana; Hamblin, Jacqueline; Jackson, Alexander; Clarkson, Guy; Alcock, Nathaniel W.; Hannon, Michael J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2141
• a: 16.9903 ± 0.001 Å
• b: 16.9903 ± 0.001 Å
• c: 14.7009 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3675.2 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No