Information card for entry 4116949

Structure parameters

• Formula: C30 H68 Cl4 N13 O24 P Zn3
• Calculated formula: C30 H64 Cl4 N13 O24 P Zn3
• Title of publication: A Tris(ZnII-1,4,7,10-tetraazacyclododecane) Complex as a New Receptor for Phosphate Dianions in Aqueous Solution
• Authors of publication: Eiichi Kimura; Shin Aoki; Tohru Koike; Motoo Shiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 3068 - 3076
• a: 18.481 ± 0.008 Å
• b: 13.901 ± 0.003 Å
• c: 22.556 ± 0.006 Å
• α: 90°
• β: 111.8 ± 0.03°
• γ: 90°
• Cell volume: 5380 ± 3 ų
• Cell temperature: 288.2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.0955
• Goodness-of-fit parameter for significantly intense reflections: 1.612
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No