Information card for entry 2220520

Structure parameters

• Chemical name: Bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)bis(2,4,6-trinitrophenolato- κ^2^<i>O</i>^1^,<i>O</i>^2^)copper(II)
• Formula: C18 H18 Cu N8 O16
• Calculated formula: C18 H18 Cu N8 O16
• SMILES: c1(c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)O[Cu]([O]=CN(C)C)(Oc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O)[O]=CN(C)C
• Title of publication: Bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)bis(2,4,6-trinitrophenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)copper(II)
• Authors of publication: Li, Bai-Yu; Tong, Jun-Feng; Dong, Wen-Kui; Yao, Jian; Wu, Jian-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m1
• a: 8.062 ± 0.001 Å
• b: 8.3361 ± 0.0011 Å
• c: 9.8429 ± 0.0014 Å
• α: 73.945 ± 0.001°
• β: 88.796 ± 0.002°
• γ: 87.968 ± 0.002°
• Cell volume: 635.25 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes