Information card for entry 7027459

Structure parameters

• Formula: C20 H38 Cl2 Cu N6 O8
• Calculated formula: C20 H38 Cl2 Cu N6 O8
• Title of publication: Copper(II) complexes of tetraaza macrocycles bearing pendant arms: syntheses, structures and properties
• Authors of publication: Aneetha, Halikhedkar; Lai, Ying-Huang; Lin, Shih-Chi; Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Chung, Chung-Sun
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2885
• a: 9.2539 ± 0.0001 Å
• b: 12.7198 ± 0.0001 Å
• c: 11.8658 ± 0.0002 Å
• α: 90°
• β: 103.187 ± 0.001°
• γ: 90°
• Cell volume: 1359.87 ± 0.03 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: 0.0415
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No