Information card for entry 4510959

Structure parameters

• Formula: C18 H24 Cu3 N12 O6 S
• Calculated formula: C18 H24 Cu3 N12 O6 S
• SMILES: [Cu]123([OH]4[Cu]([n]5[nH]ccc5)([n]5n1ccc5)[n]1n([Cu]4([n]4[nH]ccc4)(n4[n]3ccc4)OS(=O)(=O)O2)ccc1)[n]1[nH]ccc1.O
• Title of publication: Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers
• Authors of publication: Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3120
• a: 7.8342 ± 0.0016 Å
• b: 34.848 ± 0.007 Å
• c: 9.802 ± 0.002 Å
• α: 90°
• β: 94.157 ± 0.003°
• γ: 90°
• Cell volume: 2669 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No