Information card for entry 7214534

Structure parameters

• Formula: C50 H30 Cu F20 N12 O9 S2
• Calculated formula: C50 H24 Cu F20 N12 O9 S2
• 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: 17.753 ± 0.0015 Å
• b: 17.8428 ± 0.0015 Å
• c: 19.7082 ± 0.0017 Å
• α: 102.91 ± 0.002°
• β: 102.857 ± 0.002°
• γ: 90.683 ± 0.002°
• Cell volume: 5920 ± 0.9 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: 0.1518
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2092
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No