Information card for entry 4117222

Structure parameters

• Common name: ZnL
• Formula: C22 H35 Cl N6 O6 S Zn
• Calculated formula: C22 H35 Cl N6 O6 S Zn
• Title of publication: A Novel Biomimetic Zinc(II)-Fluorophore, Dansylamidoethyl-Pendant Macrocyclic Tetraamine 1,4,7,10-Tetraazacyclododecane (Cyclen)
• Authors of publication: Tohru Koike; Tomohiko Watanabe; Shin Aoki; Eiichi Kimura; Motoo Shiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 12696 - 12703
• a: 23.777 ± 0.003 Å
• b: 12.744 ± 0.005 Å
• c: 9.092 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2755 ± 1.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0474
• Goodness-of-fit parameter for significantly intense reflections: 1.311
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No