Information card for entry 7028135

Structure parameters

• Formula: C158 H214 Eu2 O24 S4
• Calculated formula: C158 Eu2 O24 S4
• Title of publication: Complexes of p-tert-butylcalix[5]arene with lanthanides: synthesis, structure and photophysical properties †
• Authors of publication: Charbonnière, Loïc J.; Balsiger, Christian; Schenk, Kurt J.; Bünzli, Jean-Claude G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 3
• Pages of publication: 505
• a: 16.442 ± 0.003 Å
• b: 16.496 ± 0.003 Å
• c: 32.629 ± 0.007 Å
• α: 97.97 ± 0.03°
• β: 97.51 ± 0.03°
• γ: 114.26 ± 0.03°
• Cell volume: 7816 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2806
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for all reflections: 0.3174
• Weighted residual factors for significantly intense reflections: 0.2475
• Goodness-of-fit parameter for all reflections: 0.822
• Goodness-of-fit parameter for significantly intense reflections: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No