Information card for entry 7203554

Structure parameters

• Formula: C122 H194 Ba N4 O29 U2
• Calculated formula: C122 H194 Ba N4 O29 U2
• Title of publication: Complex-within-complex assemblages from {M([2.2.2]cryptand)(H~2~O)~2~}^2+^ (M = Sr, Ba) and {UO~2~(<i>p-tert</i>-butyl[3.1.3.1]homooxacalixarene ‒ 4H)}^2−^
• Authors of publication: Bernardo Masci; Pierre Thuéry
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 764
• a: 18.8808 ± 0.0013 Å
• b: 19.0624 ± 0.0019 Å
• c: 22.4431 ± 0.0019 Å
• α: 66.304 ± 0.005°
• β: 73.525 ± 0.006°
• γ: 66.252 ± 0.005°
• Cell volume: 6698.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No