Information card for entry 2230088

Structure parameters

• Chemical name: Poly[μ~2~-chlorido-dichlorido[μ~2~-4'-(4-pyridyl)-2,2':6',2''- terpyridine]copper(I)copper(II)]
• Formula: C20 H14 Cl3 Cu2 N4
• Calculated formula: C20 H14 Cl3 Cu2 N4
• SMILES: [Cu]123([Cl][Cu]45([Cl][Cu]64([Cl]5)[Cl][Cu]45(Cl)[n]7c(c8[n]4cccc8)cc(c4cc[n]([Cu](Cl)[Cl][Cu]89([n]%10c(c%11[n]8cccc%11)cc(c8cc[n]6cc8)cc%10c6[n]9cccc6)Cl)cc4)cc7c4[n]5cccc4)[n]4ccc(c5cc6c7[n](cccc7)[Cu]7([n]6c(c5)c5[n]7cccc5)([Cl][Cu](Cl)[n]5ccc(c6cc(c7[n]2cccc7)[n]1c(c6)c1[n]3cccc1)cc5)Cl)cc4)Cl
• Title of publication: Poly[μ~2~-chlorido-dichlorido[μ~2~-4'-(4-pyridyl)-2,2':6',2''-terpyridine]copper(I)copper(II)]
• Authors of publication: Zhu, Chao-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m639
• a: 8.1389 ± 0.0008 Å
• b: 9.8161 ± 0.001 Å
• c: 12.4823 ± 0.0013 Å
• α: 79.512 ± 0.002°
• β: 85.036 ± 0.002°
• γ: 88.202 ± 0.002°
• Cell volume: 976.78 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.072
• 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