Information card for entry 7022663

Structure parameters

• Formula: C48 H48 F15 N13 Ni O12 S
• Calculated formula: C48 H38 F15 N13 Ni O12 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: 17.8094 ± 0.0011 Å
• b: 12.7781 ± 0.0008 Å
• c: 26.5467 ± 0.0017 Å
• α: 90°
• β: 105.688 ± 0.002°
• γ: 90°
• Cell volume: 5816.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No