Information card for entry 2216393

Structure parameters

• Chemical name: Aqua(1,10-phenanthroline-κN,N')bis(2,3,4,5-tetrafluorobenzoato-κO)copper(II) 1,2,3,4-tetrafluorobenzene solvate
• Formula: C32 H14 Cu F12 N2 O5
• Calculated formula: C32 H14 Cu F12 N2 O5
• Title of publication: Aqua(1,10-phenanthroline-κ<i>N</i>,<i>N</i>')bis(2,3,4,5-tetrafluorobenzoato-κ<i>O</i>)copper(II) 1,2,3,4-tetrafluorobenzene solvate
• Authors of publication: Junshan Sun; Chunlin Ma; Guofang He; Jikun Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3048 - m3048
• a: 6.815 ± 0.0008 Å
• b: 28.981 ± 0.0016 Å
• c: 15.448 ± 0.00008 Å
• α: 90°
• β: 99.226 ± 0.002°
• γ: 90°
• Cell volume: 3011.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.2405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes