Information card for entry 2214439

Structure parameters

• Chemical name: Poly[[μ-2-amino-4-(2-pyridyl)-6-(4-pyridyl)pyrimidine-κ^3^N,N':N'']di-μ- bromido-dicopper(I)]
• Formula: C14 H11 Br2 Cu2 N5
• Calculated formula: C14 H11 Br2 Cu2 N5
• SMILES: [Cu]123([n]4c(c5[n]3c(nc(c5)c3ccncc3)N)cccc4)[Cu]34([Br]1)[Br]2[Cu]12[Cu]5([Br]1)([Br]32)[n]1c(cccc1)c1[n]5c(N)nc(c1)c1cc[n](cc1)[Cu]123([n]5c(c6[n]3c(nc(c6)c3ccncc3)N)cccc5)[Cu]3([Br]1)[Br]2[Cu]12[Cu]5([Br]1)([Br]32)[n]1c(cccc1)c1[n]5c(N)nc(c1)c1cc[n]4cc1
• Title of publication: Poly[[μ-2-amino-4-(2-pyridyl)-6-(4-pyridyl)pyrimidine-κ^3^<i>N</i>,<i>N</i>':<i>N</i>'']di-μ-bromido-dicopper(I)]
• Authors of publication: Chi, Ying-Nan; Cui, Feng-Yun; Hu, Chang-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1830 - m1831
• a: 7.495 ± 0.002 Å
• b: 9.998 ± 0.003 Å
• c: 11.384 ± 0.004 Å
• α: 71.699 ± 0.004°
• β: 84.631 ± 0.005°
• γ: 71.66 ± 0.004°
• Cell volume: 768.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.061
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes