Information card for entry 2018157

Structure parameters

• Chemical name: Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^]cadmium(II)]
• Formula: C22 H20 Cd N4 O6
• Calculated formula: C22 H20 Cd N4 O6
• Title of publication: Poly[aqua[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-5-hydroxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)cadmium(II)], a twofold interpenetrated CdSO~4~-like metal‒organic polymer
• Authors of publication: Zhou, Shi; Li, Chuan-Bi; Wang, Qing-Wei; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m224 - m226
• a: 11.58 ± 0.0009 Å
• b: 8.4221 ± 0.0006 Å
• c: 11.6393 ± 0.0009 Å
• α: 90°
• β: 113.354 ± 0.001°
• γ: 90°
• Cell volume: 1042.16 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes