Information card for entry 7214540

Structure parameters

• Formula: C48 H20 Cl4 Cu2 F20 N8 O5
• Calculated formula: C48 H20 Cl4 Cu2 F20 N8 O5
• 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: 20.7225 ± 0.0011 Å
• b: 10.7393 ± 0.0006 Å
• c: 23.8872 ± 0.0013 Å
• α: 90°
• β: 101.536 ± 0.001°
• γ: 90°
• Cell volume: 5208.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No