Information card for entry 7113682

Structure parameters

• Formula: C62 H60 Cu2 F12 N12 O4 P2
• Calculated formula: C62.34 H60.51 Cu2 F12 N12.17 O4 P2
• Title of publication: Aggregation of metallo-supramolecular architectures by metallo-assembled hydrogen bonding sites
• Authors of publication: Lavalette, Arnaud; Tuna, Floriana; Clarkson, Guy; Alcock, Nathaniel W.; Hannon, Michael J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 21
• Pages of publication: 2666 - 2667
• a: 8.633 ± 0.002 Å
• b: 14.567 ± 0.004 Å
• c: 14.634 ± 0.004 Å
• α: 80.887 ± 0.006°
• β: 75.75 ± 0.007°
• γ: 77.55 ± 0.005°
• Cell volume: 1730.9 ± 0.8 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: 0.1744
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104874
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No