Information card for entry 7027632

Structure parameters

• Formula: C14 H32 Cl2 Cu N4 O8
• Calculated formula: C14 H32 Cl2 Cu N4 O8
• SMILES: [Cu]123[N]4(CC[NH]1[C@H](CC[N]2(CC[NH]3[C@@H](CC4)C)C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Cu]123[N]4(CC[NH]1[C@@H](CC[N]2(CC[NH]3[C@H](CC4)C)C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=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: 9.6358 ± 0.0001 Å
• b: 14.5935 ± 0.0002 Å
• c: 15.1412 ± 0.0001 Å
• α: 90°
• β: 94.718 ± 0.001°
• γ: 90°
• Cell volume: 2121.94 ± 0.04 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: 0.1215
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.2865
• Weighted residual factors for all reflections included in the refinement: 0.2966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No