Information card for entry 7012445

Structure parameters

• Formula: C48 H53 Cu3 F18 N14 O0.5 P3
• Calculated formula: C48 H53 Cu3 F18 N14 O0.5 P3
• 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: 12.361 ± 0.0015 Å
• b: 12.6347 ± 0.0013 Å
• c: 21.7155 ± 0.0013 Å
• α: 97.193 ± 0.01°
• β: 102.657 ± 0.011°
• γ: 110.031 ± 0.011°
• Cell volume: 3033.8 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1933
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No