Information card for entry 4510955

Structure parameters

• Formula: C20 H24 Cu3 F6 N12 O8 S2
• Calculated formula: C20 H24 Cu3 F6 N12 O8 S2
• 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: 20.1679 ± 0.0015 Å
• b: 14.2407 ± 0.001 Å
• c: 12.0331 ± 0.0009 Å
• α: 90°
• β: 97.997 ± 0.001°
• γ: 90°
• Cell volume: 3422.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No