Information card for entry 4115901

Structure parameters

• Formula: C144 H344 N72 O88 Zn12
• Calculated formula: C120 N51.215 O38.25 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: 23.43 ± 0.004 Å
• b: 23.43 ± 0.004 Å
• c: 23.43 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12862 ± 4 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.617
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No