Information card for entry 1551799

Structure parameters

• Formula: C16 H39 Cl3 Cu2 N6 O15
• Calculated formula: C16 H39 Cl3 Cu2 N6 O15
• SMILES: [Cu]123([NH]4CC[NH]1CC[N]2(CC4)CC[C@@H]1[O]3[Cu]23([OH2])[NH]4CC[NH]2CC[N]3(CC4)C1)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Crystal Structure of Dinuclear Cu(II) Complex of 1,4-Di(1,4,7-triazonan-1-yl)butan-2-ol
• Authors of publication: KIM, Youngmee; KIM, Junghee
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 7
• a: 9.808 ± 0.009 Å
• b: 14.308 ± 0.013 Å
• c: 10.951 ± 0.01 Å
• α: 90°
• β: 103.075 ± 0.015°
• γ: 90°
• Cell volume: 1497 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No