Information card for entry 7215617

Structure parameters

• Formula: C38 H79 Cl6 N9 O32
• Calculated formula: C38 H75 Cl6 N9 O32
• 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: 11.4289 ± 0.0017 Å
• b: 19.667 ± 0.003 Å
• c: 27.089 ± 0.004 Å
• α: 90°
• β: 96.519 ± 0.003°
• γ: 90°
• Cell volume: 6049.5 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7201089
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No