Information card for entry 7112982

Structure parameters

• Common name: [Cs@Cr7CoF8(piv)16].0.5(MeCN)
• Formula: C81 H145.5 Co Cr7 Cs F8 N0.5 O32
• Calculated formula: C81 H145.5 Co1.04 Cr7.04 Cs F8 N0.5 O32
• Title of publication: Caesium ion sequestration by a fluoro-metallocrown [16]-MC-8.
• Authors of publication: Faust, Thomas B.; Heath, Paul G.; Muryn, Christopher A.; Timco, Grigore A.; Winpenny, Richard E. P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 34
• Pages of publication: 6258 - 6260
• a: 45.069 ± 0.002 Å
• b: 16.3923 ± 0.0003 Å
• c: 34.86 ± 0.0019 Å
• α: 90°
• β: 114.009 ± 0.005°
• γ: 90°
• Cell volume: 23525.8 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1401
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No