Information card for entry 2023518

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')zinc(II)]-μ-1,4-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^] hemi{bis[μ-1,4-bis(1<i>H</i>-imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^]bis[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')zinc(II)]}] nonahydrate]
• Formula: C42 H52 N10 O17 Zn2
• Calculated formula: C42 H34 N10 O17 Zn2
• Title of publication: Crystal structure and characterization of a new chain-like polyrotaxane zinc(II) coordination polymer with mixed pyridine-2,6-dicarboxylate and 1,4-bis(1H-imidazol-1-ylmethyl)benzene ligands
• Authors of publication: Kummuang, Chanikarn; Chainok, Kittipong; Wannarit, Nanthawat
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 6
• Pages of publication: 559 - 564
• a: 25.577 ± 0.004 Å
• b: 18.632 ± 0.003 Å
• c: 22.463 ± 0.004 Å
• α: 90°
• β: 94.335 ± 0.006°
• γ: 90°
• Cell volume: 10674 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No