Information card for entry 4510961

Structure parameters

• Formula: C16 H16 Cu F6 N8 O4
• Calculated formula: C16 H16 Cu F6 N8 O4
• SMILES: [Cu]([n]1ccc[nH]1)([n]1[nH]ccc1)([n]1[nH]ccc1)([n]1[nH]ccc1)OC(=O)C(F)(F)F.O=C([O-])C(F)(F)F
• 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: 8.4899 ± 0.0005 Å
• b: 8.7083 ± 0.0005 Å
• c: 32.1849 ± 0.0017 Å
• α: 90°
• β: 92.9176 ± 0.0007°
• γ: 90°
• Cell volume: 2376.4 ± 0.2 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: 0.0541
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No