Information card for entry 4115900

Structure parameters

• Formula: C75 H147 Cl3 N36 O36 Zn6
• Calculated formula: C75 H39 Cl3 N36 O36 Zn6
• Title of publication: Three-Dimensional Supermolecules Assembled from a Tris(Zn2±cyclen) Complex and Di- and Trianionic Cyanuric Acid in Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane)
• Authors of publication: Shin Aoki; Motoo Shiro; Tohru Koike; Eiichi Kimura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 576 - 584
• a: 27.327 ± 0.003 Å
• b: 29.127 ± 0.002 Å
• c: 16.025 ± 0.002 Å
• α: 90°
• β: 90.56 ± 0.01°
• γ: 90°
• Cell volume: 12755 ± 2 ų
• Cell temperature: 298.2 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 significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.783
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No