Information card for entry 2212467

Structure parameters

• Chemical name: Bis(ethylenediamine-κ^2^N,N')copper(II) 9,10-dioxoanthracene-2,6-disulfonate
• Formula: C18 H22 Cu N4 O8 S2
• Calculated formula: C18 H22 Cu N4 O8 S2
• SMILES: c1(ccc2c(c1)C(=O)c1ccc(cc1C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[NH2]1[Cu]2([NH2]CC[NH2]2)[NH2]CC1
• Title of publication: Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) 9,10-dioxoanthracene-2,6-disulfonate
• Authors of publication: Zhao-Xun Lian; Hao-Hong Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m853 - m855
• a: 5.9738 ± 0.0011 Å
• b: 8.3196 ± 0.0014 Å
• c: 11.0372 ± 0.0019 Å
• α: 79.231 ± 0.003°
• β: 78.946 ± 0.003°
• γ: 75.258 ± 0.003°
• Cell volume: 515.11 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes