Information card for entry 4311592

Structure parameters

• Formula: C16 H20 Cu3 N8 O5
• Calculated formula: C16 H20 Cu3 N8 O5
• 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: 11.6602 ± 0.0004 Å
• b: 19.9062 ± 0.0006 Å
• c: 9.6896 ± 0.0003 Å
• α: 90°
• β: 99.576 ± 0.001°
• γ: 90°
• Cell volume: 2217.72 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0866
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No