Information card for entry 4312570

Structure parameters

• Common name: 02129
• Formula: C56 H63 Cl4 N13 O17 Zn2
• Calculated formula: C46 H44 Cl4 N10 O16 Zn2
• SMILES: [Zn]123([N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3c(ccc1)c1ccc(cc1)c1[n]2[Zn]34([N](Cc2ccc1)(Cc1[n]3cccc1)Cc1[n]4cccc1)[N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• 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: 21.411 ± 0.003 Å
• b: 11.1057 ± 0.0015 Å
• c: 29.054 ± 0.004 Å
• α: 90°
• β: 111.138 ± 0.002°
• γ: 90°
• Cell volume: 6443.7 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No