Information card for entry 4312569

Structure parameters

• Common name: 02064
• Formula: C30 H26 Cl Cu N6 O12 P
• Calculated formula: C30 H26 Cl Cu N6 O12 P
• SMILES: [Cu]123(OP(=O)(Oc4ccc(N(=O)=O)cc4)Oc4ccc(N(=O)=O)cc4)[N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1[n]3cccc1.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: 9.0338 ± 0.0007 Å
• b: 10.3878 ± 0.0008 Å
• c: 17.567 ± 0.001 Å
• α: 90.969 ± 0.001°
• β: 100.544 ± 0.001°
• γ: 100.361 ± 0.001°
• Cell volume: 1592.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No