Information card for entry 2233714

Structure parameters

• Chemical name: (3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')bis(nitrato-κ<i>O</i>)copper(II)
• Formula: C20 H40 Cu N6 O6
• Calculated formula: C20 H40 Cu N6 O6
• SMILES: C1[NH]2[C@@H]3CCCC[C@H]3[NH]3[C@@H](CC[NH]4[Cu]23(ON(=O)=O)([NH]([C@@H]2[C@@H]4CCCC2)[C@H](C1)C)ON(=O)=O)C
• Title of publication: (3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')bis(nitrato-κ<i>O</i>)copper(II)
• Authors of publication: Choi, Jong-Ha; Subhan, Md Abdus; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m190
• a: 8.2552 ± 0.001 Å
• b: 8.8074 ± 0.0011 Å
• c: 9.1399 ± 0.001 Å
• α: 67.879 ± 0.012°
• β: 68.78 ± 0.011°
• γ: 75.096 ± 0.011°
• Cell volume: 568.23 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes