Information card for entry 7022662

Structure parameters

• Formula: C54 H38 Cu F20 N14 O10 S
• Calculated formula: C54 H38 Cu F20 N14 O10 S
• Title of publication: Selective recognition of sulphate in a Cu(II) assisted 1D polymer of a simple pentafluorophenyl substituted pyridyl-urea via second sphere coordination.
• Authors of publication: Akhuli, Bidyut; Ghosh, Pradyut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5818 - 5825
• a: 11.7823 ± 0.0017 Å
• b: 14.103 ± 0.002 Å
• c: 23.068 ± 0.003 Å
• α: 95.942 ± 0.003°
• β: 104.696 ± 0.003°
• γ: 111.866 ± 0.003°
• Cell volume: 3356.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.2309
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No