Information card for entry 4117116

Structure parameters

• Formula: C19 H48 Cl3 N8 O18 P Zn2
• Calculated formula: C19 H44 Cl3 N8 O18 P 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: 19.573 ± 0.003 Å
• b: 12.454 ± 0.004 Å
• c: 15.066 ± 0.003 Å
• α: 90°
• β: 103.94 ± 0.01°
• γ: 90°
• Cell volume: 3564.4 ± 1.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 1.4
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes