Information card for entry 2235297

Structure parameters

• Chemical name: (μ-Naphthalene-1,5-disulfonato- κ^2^<i>O</i>^1^:<i>O</i>^5^)bis[triaqua(glycinato- κ^2^<i>N</i>,<i>O</i>)copper(II)]
• Formula: C14 H26 Cu2 N2 O16 S2
• Calculated formula: C14 H26 Cu2 N2 O16 S2
• SMILES: C1(=O)C[NH2][Cu](O1)([OH2])([OH2])[OH2].c1(cccc2c(cccc12)S(=O)(=O)[O-])S(=O)(=O)[O-].C1(=O)C[NH2][Cu](O1)([OH2])([OH2])[OH2]
• Title of publication: (μ-Naphthalene-1,5-disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^)bis[triaqua(glycinato-κ^2^<i>N</i>,<i>O</i>)copper(II)]
• Authors of publication: Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m730
• a: 5.802 ± 0.003 Å
• b: 11.341 ± 0.006 Å
• c: 17.613 ± 0.008 Å
• α: 90°
• β: 99.793 ± 0.018°
• γ: 90°
• Cell volume: 1142.1 ± 1 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: 0.0272
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes