Information card for entry 4079033

Structure parameters

• Formula: C32 H46 Cu F3 N2 O2
• Calculated formula: C32 H42 Cu F3 N2 O2
• SMILES: [Cu](OC(F)(F)F)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O1CCCC1
• Title of publication: Oxygen-Bound Trifluoromethoxide Complexes of Copper and Gold
• Authors of publication: Zhang, Cheng-Pan; Vicic, David A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 22
• Pages of publication: 7812
• a: 10.783 ± 0.003 Å
• b: 15.794 ± 0.004 Å
• c: 19.398 ± 0.005 Å
• α: 90°
• β: 98.494 ± 0.007°
• γ: 90°
• Cell volume: 3267.4 ± 1.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No