Information card for entry 7214535

Structure parameters

• Formula: C52 H42 Cd2 F20 N12 O17 S4
• Calculated formula: C52 H36 Cd2 F20 N12 O17 S4
• SMILES: [Cd]([n]1cccc(c1)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)([n]1cc(ccc1)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)(OS(=O)(=O)[O-])([O]=S(C)C)([OH2])OS(=O)(=O)O[Cd]([n]1cccc(c1)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)([n]1cc(ccc1)NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)([O]=S(C)C)([OH2])[OH2]
• 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: 14.069 ± 0.0015 Å
• b: 16.4751 ± 0.0018 Å
• c: 17.8873 ± 0.0019 Å
• α: 70.271 ± 0.002°
• β: 81.333 ± 0.002°
• γ: 67.876 ± 0.002°
• Cell volume: 3614 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No