Information card for entry 4312571

Structure parameters

• Common name: 02130
• Formula: C52 H56 Cl4 N13 O16 Zn2
• Calculated formula: C52 H44 Cl4 N13 O15.9 Zn2
• Title of publication: Geometry-Dependent Phosphodiester Hydrolysis Catalyzed by Binuclear Copper Complexes
• Authors of publication: Lei Zhu; Osvaldo dos Santos; Chi Wan Koo; Marc Rybstein; Louise Pape; James W. Canary
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7912 - 7920
• a: 11.7208 ± 0.0012 Å
• b: 18.3144 ± 0.0018 Å
• c: 14.1549 ± 0.0014 Å
• α: 90°
• β: 97.332 ± 0.002°
• γ: 90°
• Cell volume: 3013.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No