Information card for entry 4072352

Structure parameters

• Formula: C44 H52 Cu2 F6 N4
• Calculated formula: C44 H52 Cu2 F6 N4
• SMILES: c1(c(cc(cc1C)C)C)N1C(=[Cu]=C2N(CCN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)N(CC1)c1c(cc(cc1C)C)C.[Cu](C(F)(F)F)C(F)(F)F
• Title of publication: Structure of Bis(trifluoromethyl)cuprate and Its Role in Trifluoromethylation Reactions
• Authors of publication: Dubinina, Galyna G.; Ogikubo, Junichi; Vicic, David A.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6233
• a: 12.23 ± 0.02 Å
• b: 8.46 ± 0.015 Å
• c: 23.49 ± 0.04 Å
• α: 90°
• β: 101.43 ± 0.02°
• γ: 90°
• Cell volume: 2382 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2065
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.2684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No