Information card for entry 4327631

Structure parameters

• Common name: 2
• Formula: C17 H22 Cl2 Cu N4 O8
• Calculated formula: C17 H22 Cl2 Cu N4 O8
• 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: 8.498 ± 0.001 Å
• b: 9.079 ± 0.001 Å
• c: 14.944 ± 0.003 Å
• α: 85.98 ± 0.02°
• β: 88.29 ± 0.02°
• γ: 66.83 ± 0.01°
• Cell volume: 1057.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No