Information card for entry 2206606

Structure parameters

• Chemical name: [Diaquabis(ethylenediamine)copper(II)] [bis(4-aminonaphthalene-1-sulfonate)] dihydrate
• Formula: C24 H40 Cu N6 O10 S2
• Calculated formula: C24 H40 Cu N6 O10 S2
• SMILES: C1[NH2][Cu]2([NH2]C1)([NH2]CC[NH2]2)([OH2])[OH2].c1(S(=O)(=O)[O-])c2c(c(cc1)N)cccc2.O.c1(ccc(c2ccccc12)N)S(=O)(=O)[O-].O
• Title of publication: Diaquabis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(4-aminonaphthalene-1-sulfonate) dihydrate
• Authors of publication: Li, Ming-Tian; Wang, Cheng-Gang; Wu, Yu; Fu, Xu-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1660 - m1661
• a: 12.4376 ± 0.0009 Å
• b: 9.595 ± 0.0007 Å
• c: 12.4375 ± 0.0009 Å
• α: 90°
• β: 90.03 ± 0.01°
• γ: 90°
• Cell volume: 1484.28 ± 0.19 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes