Information card for entry 2311943

Structure parameters

• Chemical name: Poly[[(3-amino-4-carboxybenzenesulfonato-κ<i>O</i>)aquabis[μ~2~-1,4-bis(triazol-1-ylmethyl)benzene-κ^2^<i>N</i>^4^:<i>N</i>^4'^]copper(II)] 3-amino-4-carboxybenzenesulfonate 3.5-hydrate]
• Formula: C38 H46 Cu N14 O15 S2
• Calculated formula: C38 H46 Cu N14 O15 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: 24.39 ± 0.003 Å
• b: 11.871 ± 0.0015 Å
• c: 16.048 ± 0.002 Å
• α: 90°
• β: 96.325 ± 0.004°
• γ: 90°
• Cell volume: 4618.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0982
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No