Information card for entry 7002044

Structure parameters

• Formula: C24 H32 B2 Cu3 F6 N12 P
• Calculated formula: C24 H32 B2 Cu3 F6 N12 P
• SMILES: [Cu]123[Cu]45[Cu]1(=C1N([BH](N6C=2N(C=C6)C)N2C=4N(C=C2)C)C=CN1C)=C1N([BH](N2C=3N(C=C2)C)N2C=5N(C=C2)C)C=CN1C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Trinuclear copper(I) complexes with triscarbene ligands: catalysis of C‒N and C‒C coupling reactions
• Authors of publication: Biffis, Andrea; Tubaro, Cristina; Scattolin, Elena; Basato, Marino; Papini, Grazia; Santini, Carlo; Alvarez, Eleuterio; Conejero, Salvador
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7223
• a: 14.1659 ± 0.0006 Å
• b: 15.2179 ± 0.0008 Å
• c: 16.9149 ± 0.0009 Å
• α: 86.91 ± 0.001°
• β: 76.367 ± 0.001°
• γ: 73.979 ± 0.001°
• Cell volume: 3405.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No