Information card for entry 2221887

Structure parameters

• Chemical name: Poly[aqua[μ~2~-1,2-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-bromobenzene-1,3-dicarboxylato- κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)nickel(II)]
• Formula: C22 H19 Br N4 Ni O5
• Calculated formula: C22 H19 Br N4 Ni O5
• Title of publication: Poly[aqua[μ~2~-1,2-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-bromobenzene-1,3-dicarboxylato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)nickel(II)]
• Authors of publication: Zhu, Kun; Chen, Hong; Liu, Guang-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m623
• a: 9.1374 ± 0.0012 Å
• b: 10.1394 ± 0.0014 Å
• c: 12.9642 ± 0.0018 Å
• α: 80.046 ± 0.002°
• β: 83.233 ± 0.002°
• γ: 70.004 ± 0.002°
• Cell volume: 1109.5 ± 0.3 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: 0.0605
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes