Information card for entry 4117117

Structure parameters

• Formula: C19 H43 Cl3 N8 O13 Zn2
• Calculated formula: C31 Cl3 N8 O17 Zn2
• Title of publication: Novel Properties of Cooperative Dinuclear Zinc(II) Ions: The Selective Recognition of Phosphomonoesters and Their P-O Ester Bond Cleavage by a New Dinuclear Zinc(II) Cryptate
• Authors of publication: Tohru Koike; Masaki Inoue; Eiichi Kimura; Motoo Shiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 3091 - 3099
• a: 15.037 ± 0.005 Å
• b: 13.862 ± 0.005 Å
• c: 15.78 ± 0.004 Å
• α: 90°
• β: 90.29 ± 0.02°
• γ: 90°
• Cell volume: 3289.2 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.109
• Weighted residual factors for significantly intense reflections: 0.111
• Goodness-of-fit parameter for significantly intense reflections: 5.27
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes