Information card for entry 2214169

Structure parameters

• Chemical name: (3-Carboxypyridine-2-carboxylato-κ^2^N,O)(4'-phenyl-2,2':6',2''-terpyridine- κ^3^N,N',N'')copper(II) tetrafluoridoborate
• Formula: C28 H19 B Cu F4 N4 O4
• Calculated formula: C28 H19 B Cu F4.008 N4 O4
• Title of publication: (3-Carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)(4'-phenyl-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II) tetrafluoridoborate
• Authors of publication: Martínez-Vargas, Sergio; Toscano, Rubén A.; Valdés-Martínez, Jesús
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1975 - m1976
• a: 9.7975 ± 0.0005 Å
• b: 25.102 ± 0.001 Å
• c: 11.0414 ± 0.0006 Å
• α: 90°
• β: 108.183 ± 0.001°
• γ: 90°
• Cell volume: 2579.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes