Information card for entry 2020710

Structure parameters

• Chemical name: Poly[[μ-1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~3~-5-methylisophthalato-κ^3^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^)(μ~3~-5-methylisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)dizinc(II)]
• Formula: C31 H32 N4 O8 Zn2
• Calculated formula: C31 H32 N4 O8 Zn2
• Title of publication: Two new isomeric zinc(II) metal‒organic frameworks based on 1,5-bis(2-methyl-1<i>H</i>-imidazol-1-yl)pentane and 5-methylisophthalate ligands
• Authors of publication: Tan, Xiong-Wen; Li, Heng-Feng; Li, Chang-Hong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 78 - 83
• a: 11.1005 ± 0.0017 Å
• b: 17.486 ± 0.003 Å
• c: 16.372 ± 0.002 Å
• α: 90°
• β: 95.625 ± 0.002°
• γ: 90°
• Cell volume: 3162.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No