Information card for entry 4504526

Structure parameters

• Common name: [[(1,7-diaza-15-crown-5 + 2H)?p-sulfonatocalix[5]-arene][Eu(H2O)9]]2.11.75H2O
• Formula: C45 H90.5 Eu N2 O43.75 S5
• Calculated formula: C45 H49 Eu N2 O43.75 S5
• Title of publication: Host−Guest Complexes withp-Sulfonatocalix[4,5]arenes Charged Crown Ethers and Lanthanides: Factors Affecting Molecular Capsule Formation
• Authors of publication: Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 174
• a: 11.362 ± 0.0004 Å
• b: 19.902 ± 0.0006 Å
• c: 30.3716 ± 0.0012 Å
• α: 90°
• β: 96.627 ± 0.002°
• γ: 90°
• Cell volume: 6821.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0965
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No