Information card for entry 2242055

Structure parameters

• Chemical name: Piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)chloridocuprate(II)]
• Formula: C18 H20 Cl4 Cu2 N4 O8
• Calculated formula: C18 H20 Cl4 Cu2 N4 O8
• SMILES: C1(=O)O[Cu]2([Cl][Cu]3([n]4c(cc(cc4)C(=O)O)C(=O)O3)([Cl]2)Cl)([n]2c1cc(cc2)C(=O)O)Cl.[NH2+]1CC[NH2+]CC1
• Title of publication: Crystal structure of a chloride-bridged copper(II) dimer: piperazine-1,4-dium bis(di-μ-chlorido-bis[(4-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)chloridocuprate(II)]
• Authors of publication: Inah, Bassey Enyi; Ayi, Ayi Anyama; Adhikary, Amit
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 246 - 249
• a: 11.639 ± 0.003 Å
• b: 9.224 ± 0.002 Å
• c: 11.423 ± 0.003 Å
• α: 90°
• β: 105.211 ± 0.003°
• γ: 90°
• Cell volume: 1183.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes