Information card for entry 2218602

Structure parameters

• Chemical name: <i>catena</i>-Poly[[di-μ-chlorido-dicopper(I)]bis[μ-η^2^,σ^1^-4-\ (2-allyl-2<i>H</i>-tetrazol-5-yl)pyridine]]
• Formula: C9 H9 Cl Cu N5
• Calculated formula: C9 H9 Cl Cu N5
• SMILES: [Cu]12([CH2]=[CH]1Cn1nnc(c3ccncc3)n1)([Cl][Cu]13([Cl]2)[CH2]=[CH]3Cn2nnc(c3ccncc3)n2)[n]2ccc(cc2)c2nn(nn2)C[CH2]2=[CH2][Cu]23[Cl][Cu]2([Cl]3)[CH2]=[CH]2Cn2nnc(c3cc[n]1cc3)n2
• Title of publication: <i>catena</i>-Poly[[di-μ-chlorido-dicopper(I)]bis[μ-η^2^,σ^1^-4-(2-allyl-2<i>H</i>-tetrazol-5-yl)pyridine]]
• Authors of publication: Wang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m930
• a: 17.27 ± 0.003 Å
• b: 12.04 ± 0.002 Å
• c: 13.064 ± 0.003 Å
• α: 90°
• β: 127.94 ± 0.03°
• γ: 90°
• Cell volume: 2142.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes