Information card for entry 4327630

Structure parameters

• Common name: 1
• Formula: C16 H20 Cl2 Cu N4 O8
• Calculated formula: C16 H20 Cl2 Cu N4 O8
• SMILES: [Cu]123([N]4(CC[N]1(CC4)Cc1[n]3cccc1)Cc1[n]2cccc1)(OCl(=O)(=O)=O)OCl(=O)(=O)=O
• Title of publication: Copper(II) Complexes of Pyridyl-Appended Diazacycloalkanes: Synthesis, Characterization, and Application to Catalytic Olefin Aziridination
• Authors of publication: Jason A. Halfen; Joseph M. Uhan; Derek C. Fox; Mark P. Mehn; Lawrence Que
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4913 - 4920
• a: 14.684 ± 0.003 Å
• b: 16.325 ± 0.007 Å
• c: 17.785 ± 0.004 Å
• α: 90°
• β: 108.77 ± 0.02°
• γ: 90°
• Cell volume: 4037 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No