Information card for entry 2204370

Structure parameters

• Chemical name: Poly[[trans-dibromocopper(II)]-di-μ-3-pyridinecarbonitrile-κ^2^N^1^:N^3^]
• Formula: C12 H8 Br2 Cu N4
• Calculated formula: C12 H8 Br2 Cu N4
• SMILES: c1ccc(c[n]1[Cu]([n]1cccc(c1)C#N)(Br)Br)C#N
• Title of publication: Poly[[<i>trans</i>-dibromocopper(II)]-di-μ-3-pyridinecarbonitrile-κ^4^<i>N</i>^1^:<i>N</i>^3^]
• Authors of publication: Xin-Hua Li; Hua-Yue Wu; Jin-Guo Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1533 - m1535
• a: 7.041 ± 0.001 Å
• b: 7.2791 ± 0.001 Å
• c: 8.0673 ± 0.0011 Å
• α: 116.563 ± 0.002°
• β: 107.909 ± 0.002°
• γ: 98.437 ± 0.003°
• Cell volume: 331.7 ± 0.08 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: 0.029
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes