Information card for entry 2005676

Structure parameters

• Chemical name: [13,16,19,22,25,28,42,45,48,51,54,57-dodecaoxahexacyclo[28.28.1.1^11,40^.- 0^5,58^.0^7,12^.0^29,34^.0^36,41^]hexaconta-1(58),2,4,7,9,11,29,31,33,36,38,40- dodecaene](diiodo)dicaesium
• Formula: C52 H66 Cs2 I2 N2 O12
• Calculated formula: C52 H66 Cs2 I2 N2 O12
• Title of publication: Caesium Iodide Complex of 1,3-Calix[4]-<i>bis</i>-crown-6
• Authors of publication: Thuéry, P.; Nierlich, M.; Lamare, V.; Dozol, J.-F.; Asfari, Z.; Vicens, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2729 - 2731
• a: 18.15 ± 0.009 Å
• b: 17.99 ± 0.009 Å
• c: 17.365 ± 0.006 Å
• α: 90°
• β: 97.39 ± 0.03°
• γ: 90°
• Cell volume: 5623 ± 4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for all reflections: 1.791
• Goodness-of-fit parameter for significantly intense reflections: 1.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No