Information card for entry 7214536

Structure parameters

• Formula: C26 H16 Cl2 Cu F10 N4 O3
• Calculated formula: C26 H14 Cl2 Cu F10 N4 O3
• SMILES: c1ccc(c[n]1[Cu](Cl)([OH2])([n]1cccc(c1)CNC(=O)c1c(F)c(F)c(F)c(F)c1F)Cl)CNC(=O)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions
• Authors of publication: Banerjee, Subhabrata; Dastidar, Parthasarathi
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9415
• a: 42.976 ± 0.014 Å
• b: 7.96 ± 0.003 Å
• c: 8.547 ± 0.003 Å
• α: 90°
• β: 96.42 ± 0.005°
• γ: 90°
• Cell volume: 2905.5 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.2674
• Weighted residual factors for all reflections included in the refinement: 0.2736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.309
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No