Information card for entry 7000285

Structure parameters

• Formula: C102 H64 B2 Cu2 F48 N8 O2
• Calculated formula: C102 H64 B2 Cu2 F48 N8 O2
• SMILES: C1[O](CCC1)[Cu]12[n]3ccccc3N(c3[n](cccc3)[Cu]3([n]4ccccc4N(c4[n]1cccc4)c1[n]3cccc1)[O]1CCCC1)c1[n]2cccc1.FC(c1cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F)(F)F.FC(F)(F)c1cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)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: 11.33 ± 0.003 Å
• b: 14.574 ± 0.004 Å
• c: 18.019 ± 0.005 Å
• α: 67.429 ± 0.005°
• β: 76.811 ± 0.006°
• γ: 88.813 ± 0.006°
• Cell volume: 2667.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.204
• Residual factor for significantly intense reflections: 0.1209
• Weighted residual factors for significantly intense reflections: 0.2782
• Weighted residual factors for all reflections included in the refinement: 0.313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No