Information card for entry 2014966

Structure parameters

• Chemical name: Octachloro-1κ^4^Cl,4κ^4^Cl-tetra-μ-dimethylglycine-2:3κ^8^O:O'- tetracopper(II)]
• Formula: C16 H36 Cl8 Cu4 N4 O8
• Calculated formula: C16 H36 Cl8 Cu4 N4 O8
• SMILES: C[NH+](CC1=[O][Cu]234([Cl][Cu](Cl)(Cl)Cl)OC(C[NH+](C)C)=[O][Cu]4(OC(C[NH+](C)C)=[O]2)([O]=C(C[NH+](C)C)O3)(O1)[Cl][Cu](Cl)(Cl)Cl)C
• Title of publication: Di-μ-chloro-1:2κ^2^<i>Cl</i>;3:4κ^2^<i>Cl</i>-hexachloro-1κ^3^<i>Cl</i>,4κ^3^<i>Cl</i>-tetra-μ-dimethylglycine-2:3κ^8^<i>O</i>:<i>O</i>'-tetracopper(II)
• Authors of publication: Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Martin-Gil, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m380 - m382
• a: 9.759 ± 0.001 Å
• b: 12.861 ± 0.001 Å
• c: 14.06 ± 0.001 Å
• α: 90°
• β: 99.2 ± 0.03°
• γ: 90°
• Cell volume: 1742 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes