Information card for entry 2230801

Structure parameters

• Chemical name: Di-μ-nitrito-κ^4^<i>O</i>:<i>O</i>-bis[bis(1-ethyl-1<i>H</i>- imidazole-κ<i>N</i>^3^)(nitrito-κ<i>O</i>)copper(II)]
• Formula: C20 H32 Cu2 N12 O8
• Calculated formula: C20 H32 Cu2 N12 O8
• SMILES: c1[n]([Cu]([n]2cn(CC)cc2)(ON=O)ON=O)cn(c1)CC
• Title of publication: Di-μ-nitrito-κ^4^<i>O</i>:<i>O</i>-bis[bis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(nitrito-κ<i>O</i>)copper(II)]
• Authors of publication: Zhu, Run-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m869
• a: 28.136 ± 0.007 Å
• b: 28.136 ± 0.007 Å
• c: 7.669 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6071 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes