Information card for entry 7027635

Structure parameters

• Formula: C14 H36 Cl2 Cu N4 O2
• Calculated formula: C14 H36 Cl2 Cu N4 O2
• SMILES: C1C[NH]2[Cu]34[N]1(CC[C@@H](C)[NH]4CC[N]3(CC[C@@H]2C)C)C.[Cl-].O.[Cl-].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: 8.973 ± 0.001 Å
• b: 11.864 ± 0.004 Å
• c: 9.614 ± 0.004 Å
• α: 90°
• β: 106.93 ± 0.02°
• γ: 90°
• Cell volume: 979.1 ± 0.5 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: 0.0436
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No