Information card for entry 4329875

Structure parameters

• Formula: C18 H25 Cu I N7
• Calculated formula: C18 H25 Cu I N7
• SMILES: I[Cu]12[n]3n(c(cc3C)C)C(n3[n]1c(cc3C)C)n1[n]2c(cc1C)C.N#CC
• Title of publication: Copper(I) Complexes with Trispyrazolylmethane Ligands: Synthesis, Characterization, and Catalytic Activity in Cross-Coupling Reactions
• Authors of publication: Estela Haldón; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8298 - 8306
• a: 13.2452 ± 0.0006 Å
• b: 8.157 ± 0.0004 Å
• c: 20.5917 ± 0.0009 Å
• α: 90°
• β: 103.999 ± 0.001°
• γ: 90°
• Cell volume: 2158.67 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No