Information card for entry 2218697

Structure parameters

• Chemical name: <i>catena</i>-Poly[[chloridocopper(I)]-μ-η^2^,σ^1^-3-(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]1(Cl)([n]2cccc(c2)c2nn(nn2)CC=C)[CH](Cn2nc(nn2)c2ccc[n]([Cu]Cl)c2)=[CH2]1
• Title of publication: <i>catena</i>-Poly[[chloridocopper(I)]-μ-η^2^,σ^1^-3-(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: m900 - m901
• a: 7.3005 ± 0.0015 Å
• b: 7.656 ± 0.0015 Å
• c: 9.981 ± 0.002 Å
• α: 80.51 ± 0.03°
• β: 77 ± 0.03°
• γ: 84.68 ± 0.03°
• Cell volume: 535.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes