Information card for entry 4503944

Structure parameters

• Formula: C17 H21 Cl Cu3 N20 O331
• Calculated formula: C17 H21 Cl Cu3 N10 O3.31
• 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: 8.889 ± 0.002 Å
• b: 8.91 ± 0.002 Å
• c: 16.624 ± 0.004 Å
• α: 79.859 ± 0.006°
• β: 76.747 ± 0.006°
• γ: 66.467 ± 0.006°
• Cell volume: 1169.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No