Information card for entry 2209937

Structure parameters

• Chemical name: Catena-poly[[[copper(I)bromide]-μ-1,4-bis(imidazole-1-ylmethyl) benzene-N,N^'^]] hydrate]
• Formula: C14 H16 Br Cu N4 O
• Calculated formula: C14 H14 Br Cu N4 O
• Title of publication: <i>catena</i>-Poly[[[bromocopper(I)]-μ-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] monohydrate]
• Authors of publication: Tao Li; Shao-Wu Du
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1812 - m1813
• a: 8.855 ± 0.002 Å
• b: 9.723 ± 0.003 Å
• c: 10.427 ± 0.003 Å
• α: 84.179 ± 0.01°
• β: 75.926 ± 0.01°
• γ: 64.305 ± 0.008°
• Cell volume: 784.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes