Information card for entry 7027634

Structure parameters

• Formula: C14 H36 Cu N6 O6
• Calculated formula: C14 H36 Cu N6 O6
• SMILES: [C@H]1(CC[N]2([Cu]34[N](CC[NH]13)(CC[C@H](C)[NH]4CC2)C)C)C.N(=O)[O-].O.N(=O)[O-].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: 9.596 ± 0.001 Å
• b: 12.157 ± 0.001 Å
• c: 9.698 ± 0.001 Å
• α: 90°
• β: 108.1 ± 0.01°
• γ: 90°
• Cell volume: 1075.37 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No