Information card for entry 4069275

Structure parameters

• Formula: C34 H30 Cu2 I2 N10
• Calculated formula: C34 H30 Cu2 I2 N10
• SMILES: c1cc2c3n1Cn1ccc4c1[n]([Cu]1([I][Cu]5([I]1)[n]1c6c(ccn6Cn6ccc7c6[n]5ccc7)ccc1)[n]3ccc2)ccc4.N#CC.N#CC
• Title of publication: Dinuclear Copper(I) Complexes as Precatalysts in Ullmann and Goldberg Coupling Reactions
• Authors of publication: Haldón, Estela; Álvarez, Eleuterio; Nicasio, M. Carmen; Pérez, Pedro J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3815
• a: 17.4128 ± 0.0016 Å
• b: 10.8076 ± 0.001 Å
• c: 18.4692 ± 0.0017 Å
• α: 90°
• β: 103.407 ± 0.002°
• γ: 90°
• Cell volume: 3381 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No