Information card for entry 7050074

Structure parameters

• Common name: ((Eu(H2O)7)0.33(Eu(H2O)4)2(Eu(H2O)6)(4,4-dipyridine-N,N- dioxide)4.5 (p-sulfonatocalix(8)arene-2H)).1.5(4,4-dipyridine-N,N- dioxide).8(H2O)
• Formula: C113.5 H134 Eu3.33 N11.5 O68.5 S8
• Calculated formula: C113.5 H84 Eu3.33 N11.5 O68.11 S8
• Title of publication: A complex 3D ‘wavy brick wall’ coordination polymer based on p-sulfonatocalix[8]arene
• Authors of publication: Dalgarno, Scott J.; Hardie, Michaele J.; Atwood, Jerry L.; Warren, John E.; Raston, Colin L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 649
• a: 16.9935 ± 0.0008 Å
• b: 22.1127 ± 0.0011 Å
• c: 23.0089 ± 0.0011 Å
• α: 69.117 ± 0.001°
• β: 69.422 ± 0.001°
• γ: 71.419 ± 0.001°
• Cell volume: 7375.6 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.6903 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No