Information card for entry 7201090

Structure parameters

• Formula: C72 H204 N16 O88 P16
• Calculated formula: C72 H148 N16 O88 P16
• Title of publication: Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host
• Authors of publication: Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2375 - 2380
• a: 16.602 ± 0.002 Å
• b: 18.921 ± 0.002 Å
• c: 23.048 ± 0.003 Å
• α: 90°
• β: 108.427 ± 0.002°
• γ: 90°
• Cell volume: 6868.8 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.11
• Weighted residual factors for significantly intense reflections: 0.2334
• Weighted residual factors for all reflections included in the refinement: 0.259
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No