Information card for entry 7113683

Structure parameters

• Formula: C76 H94 Cu2 F12 N10 O6 P2
• Calculated formula: C76 H94 Cu2 F12 N10 O6 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: 12.3955 ± 0.0014 Å
• b: 15.0429 ± 0.0018 Å
• c: 41.729 ± 0.005 Å
• α: 90°
• β: 97.315 ± 0.003°
• γ: 90°
• Cell volume: 7717.6 ± 1.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1792
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104875
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No