Information card for entry 4312572

Structure parameters

• Common name: 02275a
• Formula: C46 H44 Cl4 Cu2 N10 O16
• Calculated formula: C46 H44 Cl4 Cu2 N10 O16
• 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: 14.652 ± 0.002 Å
• b: 23.435 ± 0.004 Å
• c: 15.434 ± 0.003 Å
• α: 90°
• β: 109.384 ± 0.004°
• γ: 90°
• Cell volume: 4999.2 ± 1.5 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: 0.0652
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No