Information card for entry 7027889

Structure parameters

• Formula: C58 H53 B4 Cu2 F8 N18 O2
• Calculated formula: C59 H50 B4 Cu2 F8 N18 O
• Title of publication: Complexes of the potentially hexadentate ligand bis{3-[6-(2,2′-bipyridyl)]pyrazol-1-yl}hydroborate with representative s-, p-, d- and f-block metal ions: factors promoting formation of mononuclear or double-helical dinuclear complexes
• Authors of publication: Fleming, James S.; Psillakis, Elefteria; Couchman, Samantha M.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 4
• Pages of publication: 537
• a: 13.535 ± 0.002 Å
• b: 14.6 ± 0.003 Å
• c: 19.608 ± 0.005 Å
• α: 71.96 ± 0.02°
• β: 85.08 ± 0.02°
• γ: 63.362 ± 0.012°
• Cell volume: 3286.8 ± 1.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.1033
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections: 0.1674
• Weighted residual factors for significantly intense reflections: 0.1322
• Goodness-of-fit parameter for all reflections: 0.919
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No