Information card for entry 4502220

Structure parameters

• Formula: C28 H28 O29 Pr3 S4
• Calculated formula: C28 H28 O28.9 Pr3 S4
• Title of publication: Isolated Hexanuclear Hydroxo Lanthanide Secondary Building Units in a Rare-Earth Polymeric Framework Based onp-Sulfonatocalix[4]arene
• Authors of publication: Gándara, Felipe; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Snejko, Natalia; Monge, M. Ángeles
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 128
• a: 11.9761 ± 0.0003 Å
• b: 11.9761 ± 0.0003 Å
• c: 31.3992 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4503.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No