Information card for entry 2015206

Structure parameters

• Chemical name: hydronium diaqua-1κO,2κO-trichloro-1κCl;2κ^2^Cl-μ-dimethylglycinato-1κO:2κ^2^O',N- dimethylglycinato-1κ^2^N,O-dicuprate(II)
• Formula: C8 H23 Cl3 Cu2 N2 O7
• Calculated formula: C8 H23 Cl3 Cu2 N2 O7
• SMILES: [Cu]1(Cl)(Cl)([OH2])OC(=[O][Cu]2(Cl)([OH2])OC(=O)C[N]2(C)C)C[N]1(C)C.[OH3+]
• Title of publication: Weak antiferromagnetic interactions in hydronium diaqua-1κ<i>O</i>,2κ<i>O</i>-trichloro-1κ<i>Cl</i>,2κ^2^<i>Cl</i>-μ-dimethylglycinato-1κ<i>O</i>:2κ^2^<i>O</i>',<i>N</i>-dimethylglycinato-1κ^2^<i>N</i>,<i>O</i>-dicuprate(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: 12
• Pages of publication: m507 - m509
• a: 15.6775 ± 0.001 Å
• b: 6.2641 ± 0.0004 Å
• c: 22.811 ± 0.002 Å
• α: 90°
• β: 124.292 ± 0.006°
• γ: 90°
• Cell volume: 1850.8 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes