Information card for entry 7000286

Structure parameters

• Formula: C31 H24 Cu F3 N8 O3 S
• Calculated formula: C31 H24 Cu F3 N8 O3 S
• SMILES: [Cu]12([n]3ccccc3N(c3[n]1cccc3)c1ncccc1)[n]1ccccc1N(c1[n]2cccc1)c1ncccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis of new copper(i) complexes with tris(2-pyridyl) ligands. Applications to carbene and nitrene transfer reactions
• Authors of publication: Pérez, Julio; Morales, Dolores; García-Escudero, Luis A.; Martínez-García, Héctor; Miguel, Daniel; Bernad, Pablo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 2
• Pages of publication: 375 - 382
• a: 8.4385 ± 0.0018 Å
• b: 17.821 ± 0.004 Å
• c: 20.819 ± 0.005 Å
• α: 90°
• β: 96.231 ± 0.004°
• γ: 90°
• Cell volume: 3112.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No