Information card for entry 2230216

Structure parameters

• Chemical name: <i>catena</i>-Poly[[4,6-bis(2-pyridyl)-1,3,5-triazin-2-olato]copper(II)]- μ-chlorido]
• Formula: C13 H8 Cl Cu N5 O
• Calculated formula: C13 H8 Cl Cu N5 O
• SMILES: [Cu]12([Cl][Cu]34(Cl)[n]5ccccc5c5n4c(nc(=O)n5)c4[n]3cccc4)[n]3ccccc3c3n1c(nc(=O)n3)c1[n]2cccc1
• Title of publication: <i>catena</i>-Poly[[[4,6-bis(2-pyridyl)-1,3,5-triazin-2-olato]copper(II)]-μ-chlorido]
• Authors of publication: Cao, Man-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m739
• a: 3.7687 ± 0.0013 Å
• b: 13.698 ± 0.005 Å
• c: 11.852 ± 0.004 Å
• α: 90°
• β: 92.851 ± 0.006°
• γ: 90°
• Cell volume: 611.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes