Information card for entry 4329874

Structure parameters

• Formula: C24 H26 Cu4 I4 N14
• Calculated formula: C24 H26 Cu4 I4 N14
• SMILES: c1ccn2[n]1[Cu]134[I][Cu]54([I]3[Cu]34([I][Cu]4([I]13)([n]1cccn1C2n1cccn1)[N]#CC)[n]1cccn1C(n1ccc[n]51)n1cccn1)[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: 9.8669 ± 0.0007 Å
• b: 15.0543 ± 0.001 Å
• c: 12.0982 ± 0.0009 Å
• α: 90°
• β: 97.698 ± 0.003°
• γ: 90°
• Cell volume: 1780.9 ± 0.2 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: 0.082
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No