Information card for entry 2203076

Structure parameters

• Chemical name: Diaqua(diethylenetriamine-κ^3^N)(perchlorato-κO)copper(II) hydrogenmaleate
• Formula: C8 H20 Cl Cu N3 O10
• Calculated formula: C8 H20 Cl Cu N3 O10
• SMILES: C1[NH2][Cu]2([NH](C1)CC[NH2]2)([OH2])[OH2].C(=O)([O-])\C=C/C(=O)O.[O-]Cl(=O)(=O)=O
• Title of publication: Diaqua(diethylenetriamine-κ^3^<i>N</i>)(perchlorato-κ<i>O</i>)copper(II) hydrogenmaleate
• Authors of publication: Valdés-Martínez, Jesús; Toscano, Rubén A.; Del Río-Ramírez, Marisa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m45 - m47
• a: 24.975 ± 0.002 Å
• b: 9.714 ± 0.001 Å
• c: 6.5213 ± 0.0004 Å
• α: 90°
• β: 95.327 ± 0.001°
• γ: 90°
• Cell volume: 1575.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes