Information card for entry 7053694

Structure parameters

• Formula: C145 H147.5 N13.5 O26.5 Zn8
• Calculated formula: C149.25 H135.5 N8.5 O26.5 Zn8
• Title of publication: Robust and stable pyrogallol[4]arene molecular capsules facilitated via an octanuclear zinc coordination belt
• Authors of publication: Power, Nicholas P.; Dalgarno, Scott J.; Atwood, Jerry L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 17
• a: 16.449 ± 0.002 Å
• b: 28.272 ± 0.004 Å
• c: 29.144 ± 0.004 Å
• α: 90°
• β: 90.614 ± 0.003°
• γ: 90°
• Cell volume: 13553 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No