Information card for entry 2231658

Structure parameters

• Chemical name: Bis(cyanamide-κ<i>N</i>)[4-(1<i>H</i>-imidazol-1-yl)phenol- κ<i>N</i>^3^]bis(nitrato-κ<i>O</i>)copper(II)
• Formula: C20 H20 Cu N10 O8
• Calculated formula: C20 H20 Cu N10 O8
• SMILES: c1cn(c[n]1[Cu]([N]#CN)([N]#CN)[n]1ccn(c1)c1ccc(cc1)O)c1ccc(cc1)O.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Bis(cyanamide-κ<i>N</i>)[4-(1<i>H</i>-imidazol-1-yl)phenol-κ<i>N</i>^3^]bis(nitrato-κ<i>O</i>)copper(II)
• Authors of publication: Yu, Rui-Jin; Deng, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1253
• a: 8.2235 ± 0.0007 Å
• b: 8.7144 ± 0.0008 Å
• c: 9.4553 ± 0.0009 Å
• α: 110.808 ± 0.001°
• β: 96.696 ± 0.002°
• γ: 98.883 ± 0.002°
• Cell volume: 614.92 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes