Information card for entry 7027637

Structure parameters

• Formula: C14 H36 Cu I2 N4 O2
• Calculated formula: C14 H36 Cu I2 N4 O2
• SMILES: [I-].[Cu]123[N]4(CC[NH]2[C@H](CC[N]1(CC[NH]3[C@@H](CC4)C)C)C)C.O.[I-].O
• Title of publication: Copper(II) complexes of C-meso-1,5,8,12-tetramethyl-1,4,8,11-tetraazacyclotetradecane: syntheses, structures and properties †>
• Authors of publication: Lu, Tian-Huey; Lin, Shih-Chi; Aneetha, Halikhedkar; Panneerselvam, Kaliyamoorthy; Chung, Chung-Sun
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 3385
• a: 8.5634 ± 0.0003 Å
• b: 13.1899 ± 0.0005 Å
• c: 10.2121 ± 0.0004 Å
• α: 90°
• β: 103.266 ± 0.001°
• γ: 90°
• Cell volume: 1122.68 ± 0.07 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: 0.0307
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No