Information card for entry 4326489

Structure parameters

• Formula: C62 H127.53 N30 O32.77 Zn4
• Calculated formula: C62 H98 N30 O32.7652 Zn4
• Title of publication: Selective Hydrolysis of Phosphate Monoester by a Supramolecular Phosphatase Formed by the Self-Assembly of a Bis(Zn2±cyclen) Complex, Cyanuric Acid, and Copper in an Aqueous Solution (Cyclen = 1,4,7,10-Tetraazacyclododecane)
• Authors of publication: Mohd Zulkefeli; Asami Suzuki; Motoo Shiro; Yosuke Hisamatsu; Eiichi Kimura; Shin Aoki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10113 - 10123
• a: 14.5197 ± 0.0004 Å
• b: 18.23 ± 0.0005 Å
• c: 19.7922 ± 0.0014 Å
• α: 99.15 ± 0.007°
• β: 104.168 ± 0.008°
• γ: 113.427 ± 0.008°
• Cell volume: 4463.2 ± 0.6 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.3345
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No