Information card for entry 4311593

Structure parameters

• Formula: C10 H8 Cu F6 N4 O4
• Calculated formula: C10 H8 Cu F6 N4 O4
• Title of publication: Spontaneous Self-Assembly of an Unsymmetric Trinuclear Triangular Copper(II) Pyrazolate Complex, [Cu3(μ3-OH)(μ-pz)3(MeCOO)2(Hpz)] (Hpz = Pyrazole). Synthesis, Experimental and Theoretical Characterization, Reactivity, and Catalytic Activity
• Authors of publication: Maurizio Casarin; Carlo Corvaja; Corrado di Nicola; Daniele Falcomer; Lorenzo Franco; Magda Monari; Luciano Pandolfo; Claudio Pettinari; Fabio Piccinelli; Pietro Tagliatesta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5865 - 5876
• a: 13.981 ± 0.0015 Å
• b: 13.0458 ± 0.0015 Å
• c: 8.8542 ± 0.001 Å
• α: 90°
• β: 94.568 ± 0.003°
• γ: 90°
• Cell volume: 1609.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No