Information card for entry 2012385

Structure parameters

• Chemical name: Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-N^4^:O,N^1^- [diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-O,N^1^:N^4^- [aquacopper(I)]-μ-bromo]
• Formula: C12 H18 Br2 Cu3 N4 O8
• Calculated formula: C12 H18 Br2 Cu3 N4 O8
• Title of publication: Poly[[aquacopper(I)-μ-bromo]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>N</i>^4^:<i>O</i>,<i>N</i>^1^-[diaquacopper(II)]-μ-(5-methylpyrazine-2-carboxylato)-κ^3^<i>O</i>,<i>N</i>^1^:<i>N</i>^4^-[aquacopper(I)-μ-bromo]]
• Authors of publication: Näther, Christian; Wriedt, Mario; Jeß, Inke
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1395 - 1397
• a: 7.1796 ± 0.0018 Å
• b: 23.238 ± 0.003 Å
• c: 6.5358 ± 0.0016 Å
• α: 90°
• β: 113.069 ± 0.018°
• γ: 90°
• Cell volume: 1003.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No