Information card for entry 7214542

Structure parameters

• Formula: C48 H45 Cu N12 O15 S
• Calculated formula: C48 H45 Cu N12 O15 S
• 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: 17.8802 ± 0.0014 Å
• b: 17.8802 ± 0.0014 Å
• c: 8.4406 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2698.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No