Information card for entry 2216742

Structure parameters

• Chemical name: catena-Poly[[[5-(2-pyridyl)tetrazolato-κ^2^N^1^,N^5^]copper(II)]-μ- 5-(2-pyridyl)tetrazolato-κ^2^N^1^,N^5^:N^3^]
• Formula: C12 H8 Cu N10
• Calculated formula: C12 H8 Cu N10
• SMILES: [Cu]12(n3nnnc3c3[n]1cccc3)(n1nnnc1c1[n]2cccc1)[n]1nn2[Cu]3([n]4c(c2n1)cccc4)n1nnnc1c1[n]3cccc1
• Title of publication: <i>catena</i>-Poly[[[5-(2-pyridyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^]copper(II)]-μ-5-(2-pyridyl)tetrazolato-κ^2^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^3^]
• Authors of publication: Qiu, Yu-E; Jin, Mei-Fang; Zhang, Xiu-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2894 - m2894
• a: 8.5905 ± 0.0009 Å
• b: 14.8361 ± 0.0016 Å
• c: 20.905 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2664.3 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes