Information card for entry 7226966

Structure parameters

• Formula: C290 H386 Gd4 N16 Na4 O159 S30
• Calculated formula: C290 H272 Gd4 N16 Na4 O159 S30
• Title of publication: Functional heterocyclic molecular inclusion in p-sulfonatocalix[5]arene and lanthanide(iii) complexes
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Raston, Colin L.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 104
• Pages of publication: 102695
• a: 11.1318 ± 0.0002 Å
• b: 17.7181 ± 0.0004 Å
• c: 52.0066 ± 0.0012 Å
• α: 97.634 ± 0.002°
• β: 95.167 ± 0.002°
• γ: 100.468 ± 0.002°
• Cell volume: 9928.5 ± 0.4 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: 0.165
• Residual factor for significantly intense reflections: 0.1409
• Weighted residual factors for significantly intense reflections: 0.3344
• Weighted residual factors for all reflections included in the refinement: 0.3502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No