Information card for entry 7103058

Structure parameters

• Formula: C48 H72 Mn N20 O16 S
• Calculated formula: C48 H72 Mn N20 O16 S
• Title of publication: Sulfate ion encapsulation in caged supramolecular structures assembled by second-sphere coordination.
• Authors of publication: Wu, Biao; Liang, Jianjun; Yang, Jin; Jia, Chuandong; Yang, Xiao-Juan; Zhang, Hongrui; Tang, Ning; Janiak, Christoph
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 1762 - 1764
• a: 12.516 ± 0.003 Å
• b: 18.505 ± 0.004 Å
• c: 13.186 ± 0.003 Å
• α: 90°
• β: 91.38 ± 0.03°
• γ: 90°
• Cell volume: 3053.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No