Information card for entry 7214538

Structure parameters

• Formula: C48 H24 B2 Cu F28 N8 O6
• Calculated formula: C48 H20 B2 Cu F28 N8 O6
• 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: 15.859 ± 0.002 Å
• b: 20.759 ± 0.003 Å
• c: 16.412 ± 0.002 Å
• α: 90°
• β: 90.95 ± 0.003°
• γ: 90°
• Cell volume: 5402.4 ± 1.2 ų
• Cell temperature: 100 ± 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: 0.1097
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No