Information card for entry 1556963

Structure parameters

• Formula: C27 H37 Cl2 Cu N7 O8
• Calculated formula: C27 Cl2 Cu N7 O8
• SMILES: [Cu]12345[N]6(CC[N]1(CC[N]2(CC[N]3(CC6)Cc1ncccc1)Cc1[n]5cccc1)C)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and Crystal Structure of the Copper(II) Complex of 1-Methyl-4,7,10-(2-pyridylmethyl)-1,4,7,10-tetraazacyclododecane (L), [CuL]2+
• Authors of publication: Bu, Xian-He; Chen, Wei; Fang, Ya-Yin; Lu, Shou-Liang; Wang, Chang-Feng; Zhang, Ruo-Hua
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 813 - 815
• a: 10.175 ± 0.002 Å
• b: 15.191 ± 0.003 Å
• c: 20.79 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3213.5 ± 1.1 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No