Information card for entry 2023481

Structure parameters

• Chemical name: Poly[[aqua(μ~2~-pyrazine-κ^2^<i>N</i>:<i>N</i>')(μ~2~-2,3,5,6-tetrachlorobenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)copper(II)] hemihydrate]
• Formula: C24 H14 Cl8 Cu2 N4 O11
• Calculated formula: C24 H14 Cl8 Cu2 N4 O11
• Title of publication: Crystal structure of poly[[aqua-(μ₂-pyrazine-κ² <i>N</i>:<i>N</i>')(μ₂-2,3,5,6-tetra-chloro-benzene-1,4-di-car-boxyl-ato-κ² <i>O</i> ¹:<i>O</i> ⁴)copper(II)] hemihydrate].
• Authors of publication: Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 5
• Pages of publication: 429 - 432
• a: 10.975 ± 0.003 Å
• b: 6.7837 ± 0.0015 Å
• c: 21.803 ± 0.004 Å
• α: 90°
• β: 90.222 ± 0.014°
• γ: 90°
• Cell volume: 1623.2 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No