Information card for entry 4503945

Structure parameters

• Formula: C36 H48 Cl6 Cu7 N24 O4
• Calculated formula: C36 H44 Cl6 Cu7 N24 O4
• SMILES: c1cc[n]2n1[Cu]1([n]3ccc[nH]3)[OH]3[Cu]2(n2ccc[n]2[Cu]3(n2ccc[n]12)([n]1[nH]ccc1)[OH2])(Cl)Cl.Cl[Cu]([n]1ccc[nH]1)(Cl)[n]1ccc[nH]1.c1cc[n]2n1[Cu]1([n]3cccn3[Cu]3([n]4cccn4[Cu]2([OH]13)(Cl)Cl)([n]1[nH]ccc1)[OH2])[n]1ccc[nH]1
• Title of publication: The Different Supramolecular Arrangements of the Triangular [Cu3(μ3-OH)(μ-pz)3]2+(pz = Pyrazolate) Secondary Building Units. Synthesis of a Coordination Polymer with Permanent Hexagonal Channels
• Authors of publication: Casarin, Maurizio; Cingolani, Augusto; Di Nicola, Corrado; Falcomer, Daniele; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 676
• a: 32.743 ± 0.002 Å
• b: 32.743 ± 0.002 Å
• c: 13.8177 ± 0.0007 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 12829.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No