Information card for entry 7101287

Structure parameters

• Common name: C-pentylpyrogallol(4)arene gallium hexamer acetonitrile
• Chemical name: C-pentylpyrogallol[4]arene gallium hexamer acetonitrile
• Formula: C300 H292 Ga12 N8 O119
• Calculated formula: C300 H292 Ga12 N8 O119
• Title of publication: Hexameric C-alkylpyrogallol[4]arene Molecular Capsules Sustained by Metal-ion Coordination and Hydrogen Bonds
• Authors of publication: Robert M. McKinaly; Praveen K. Thallapally; J. L. Atwood
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 28
• a: 41.443 ± 0.004 Å
• b: 29.295 ± 0.003 Å
• c: 36.851 ± 0.004 Å
• α: 90°
• β: 112.666 ± 0.002°
• γ: 90°
• Cell volume: 41285 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.3214
• Residual factor for significantly intense reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.3445
• Weighted residual factors for all reflections included in the refinement: 0.4622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No