Information card for entry 7104029

Structure parameters

• Common name: bis(6,6'-ethynyl-4-pyridine)2,2'-bipyridyl cupper(I) tetrafluoroborate hexamer
• Chemical name: bis(6,6'-ethynyl-4-pyridine)2,2'-bipyridyl cupper(I) tetrafluoroborate hexamer
• Formula: C30 H28 B Cu F4 N6 O2
• Calculated formula: C24 H14 B0.663333 Cu F2.65333 N4
• Title of publication: A novel synthetic strategy for hexanuclear supramolecular architectures
• Authors of publication: Dolomanov, Oleg V; Blake, Alexander J; Champness, Neil R; Schröder, Martin; Wilson, Claire
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 682 - 683
• a: 20.467 ± 0.002 Å
• b: 20.467 ± 0.002 Å
• c: 40.139 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14561 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.127
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No