Information card for entry 2236629

Structure parameters

• Chemical name: Poly[diaqua[μ-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-fumarato- κ^2^<i>O</i>^1^:<i>O</i>^4^)nickel(II)]
• Formula: C16 H16 N4 Ni O6
• Calculated formula: C16 H16 N4 Ni O6
• Title of publication: Poly[diaqua[μ-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-fumarato-κ^2^<i>O</i>^1^:<i>O</i>^4^)nickel(II)]
• Authors of publication: Bian, Chang-Xin; Yao, Xiao-Qiang; Song, Yu-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1286 - m1287
• a: 11.2806 ± 0.0004 Å
• b: 16.3703 ± 0.0007 Å
• c: 9.0253 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1666.67 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0926
• 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