Information card for entry 2213400

Structure parameters

• Chemical name: catena-Poly[[μ-5,5'-di-2-pyridyl-1,1'-(p- phenylenedimethylene)bis(1H-tetrazole)]-[chloridocopper(II)]-di-μ-chlorido- [chloridocopper(II)] acetonitrile solvate]
• Formula: C24 H22 Cl4 Cu2 N12
• Calculated formula: C24 H22 Cl4 Cu2 N12
• SMILES: [Cu]1([n]2c(c3[n]1nnn3Cc1ccc(Cn3nnn4[Cu]([n]5c(c34)cccc5)(Cl)Cl)cc1)cccc2)(Cl)Cl.N#CC.N#CC
• Title of publication: <i>catena</i>-Poly[[[μ-5,5'-di-2-pyridyl-1,1'-(<i>p</i>-phenylenedimethylene)bis(1<i>H</i>-tetrazole)]-[chloridocopper(II)]-di-μ-chlorido-[chloridocopper(II)]] acetonitrile solvate]
• Authors of publication: Lei Li; Tong-Liang Hu; Xian-He Bu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1393 - m1394
• a: 7.7541 ± 0.0016 Å
• b: 17.086 ± 0.003 Å
• c: 11.383 ± 0.002 Å
• α: 90°
• β: 98.72 ± 0.03°
• γ: 90°
• Cell volume: 1490.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes