Information card for entry 2215671

Structure parameters

• Chemical name: Bis[μ-5-(pyrazin-2-yl)tetrazol-1-ido]bis[azido(2,2'-bipyridine)copper(II)]
• Formula: C30 H22 Cu2 N22
• Calculated formula: C30 H22 Cu2 N22
• SMILES: c1c2c3cccc[n]3[Cu]3(n4[n](nnc4c4nccnc4)[Cu]4([n]5ccccc5c5cccc[n]45)(n4[n]3nnc4c3nccnc3)N=N#N)([n]2ccc1)N=N#N
• Title of publication: Bis[μ-5-(pyrazin-2-yl)tetrazol-1-ido]bis[azido(2,2'-bipyridine)copper(II)]
• Authors of publication: Yan-Jun Zhang; Xin Fang; Ming-Lei Cao; Hai-Yang Yu; Jun-Dong Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2630 - m2630
• a: 8.189 ± 0.002 Å
• b: 10.252 ± 0.002 Å
• c: 11.38 ± 0.002 Å
• α: 107.629 ± 0.002°
• β: 102.061 ± 0.002°
• γ: 108.185 ± 0.004°
• Cell volume: 815 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes