Information card for entry 2311944

Structure parameters

• Chemical name: Poly[[bis(μ~2~-2-amino-4-sulfonatobenzoato-κ^3^<i>O</i>^4^:<i>N</i>,<i>O</i>^4'^)tetraaqua[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^1^:<i>N</i>^1'^]dicopper(II)] tetrahydrate]
• Formula: C28 H40 Cu2 N6 O18 S2
• Calculated formula: C28 H40 Cu2 N6 O18 S2
• Title of publication: Preparation and characterization of two new Cu^II supramolecular coordination polymers incorporating sulfobenzoate and flexible heterocyclic ligands.
• Authors of publication: Chu, Xin; Zhang, Kou Lin
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1087 - 1097
• a: 13.4947 ± 0.0016 Å
• b: 10.1948 ± 0.0011 Å
• c: 18.8909 ± 0.0016 Å
• α: 90°
• β: 134.327 ± 0.005°
• γ: 90°
• Cell volume: 1859.2 ± 0.4 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: 0.0733
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No