Information card for entry 8101420

Structure parameters

• Formula: C16 H39 Cl3 Cu2 N6 O9
• Calculated formula: C16 H38 Cl3 Cu2 N6 O13
• SMILES: [Cu]123([OH][Cu]45([Cl]3)[NH]6CC[N]5(C)CC[N]4(C)CC6)[NH]3CC[N]1(C)CC[N]2(C)CC3.Cl(=O)(=O)(=O)[O-].[O-]Cl(=O)(=O)(=O)
• Title of publication: Crystal structure of bis(1,4-dimethyl-1,4,7-triazacyclononyl)-μ- chloro-μ-hydroxodicopper(II) perchlorate, C~16~H~39~ClCu~2~N~6~O (ClO~4~)~2~
• Authors of publication: Elliot, David J.; Martin, Lisandra L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 38 - 40
• a: 10.403 ± 0.001 Å
• b: 13.55 ± 0.002 Å
• c: 20.343 ± 0.002 Å
• α: 90°
• β: 101.92 ± 0.01°
• γ: 90°
• Cell volume: 2805.7 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.084
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No