Information card for entry 2014755

Structure parameters

• Formula: C16 H28 Cu N14 O6
• Calculated formula: C16 H28 Cu N14 O6
• SMILES: c1nn(c[n]1[Cu](ON(=O)=O)([n]1cnn(c1)CC)([n]1cnn(c1)CC)(ON(=O)=O)[n]1cnn(c1)CC)CC
• Title of publication: Tetrakis(1-ethyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)copper(II) and bis(nitrato-κ<i>O</i>)tetrakis(1-propyl-1<i>H</i>-1,2,4-triazole-κ<i>N</i>^4^)copper(II)
• Authors of publication: Zaleski, Jacek; Mieczysław Gabryszewski; Zarychta, Bartosz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m151 - m154
• a: 9.703 ± 0.002 Å
• b: 15.288 ± 0.003 Å
• c: 8.386 ± 0.002 Å
• α: 90°
• β: 99.97 ± 0.01°
• γ: 90°
• Cell volume: 1225.2 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes