Information card for entry 7027890

Structure parameters

• Formula: C31 H32 B Gd N11 O7.5
• Calculated formula: C31 H27 B Gd N11 O7.5
• 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: 10.0077 ± 0.0012 Å
• b: 13.0213 ± 0.0013 Å
• c: 14.719 ± 0.003 Å
• α: 70.236 ± 0.012°
• β: 71.349 ± 0.007°
• γ: 79.566 ± 0.008°
• Cell volume: 1704.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.0563
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No