Information card for entry 2200062

Structure parameters

• Common name: none
• Chemical name: Tetrakis(hydroxonium) bis(tetrachlorogallate) dichloride cucurbituril decahydrate
• Formula: C36 H68 Cl10 Ga2 N24 O26
• Calculated formula: C36 H66 Cl10 Ga2 N24 O26
• Title of publication: Supramolecular adduct of tetrachlorogallate with cucurbituril: (H~7~O~3~)~4~[GaCl~4~]~2~Cl~2~·C~36~H~36~N~24~O~12~·2H~2~O
• Authors of publication: Virovets, Alexander V.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: m33 - m34
• a: 16.5665 ± 0.001 Å
• b: 16.78 ± 0.0009 Å
• c: 25.0342 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6959.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes