Information card for entry 2016661

Structure parameters

• Chemical name: Poly[[[Diaquacadmium(II)]-bis(μ-4-aminonaphthalene-1-sulfonato)- κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>] dihydrate]
• Formula: C20 H24 Cd N2 O10 S2
• Calculated formula: C20 H24 Cd N2 O10 S2
• SMILES: [Cd]1([OH2])([OH2])OS(=O)(=O)c3ccc(c2c3cccc2)[NH2][Cd](OS(=O)(=O)c2ccc(N)c3c2cccc3)(OS(=O)(=O)c2ccc([NH2]1)c1c2cccc1)([OH2])([OH2])[NH2]c1ccc(S(=O)(=O)[O-])c2c1cccc2.O.O.O.O
• Title of publication: Two novel mixed-ligand complexes containing organosulfonate ligands
• Authors of publication: Li, Mingtian; Huang, Jun; Zhou, Xuan; Fang, Hua; Ding, Liyun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m250 - m253
• a: 9.2553 ± 0.0006 Å
• b: 15.6133 ± 0.0009 Å
• c: 8.1857 ± 0.0005 Å
• α: 90°
• β: 106.305 ± 0.001°
• γ: 90°
• Cell volume: 1135.31 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0207
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes