Information card for entry 4068763

Structure parameters

• Formula: C13 H18 Cu F3 O3 S
• Calculated formula: C13 H18 Cu F3 O2.999 S0.999
• Title of publication: Structures and Properties of Copper Alkene Complexes. Preorganization Effects and the Binding of Different Isomers of Cyclododecatriene to Copper Triflate
• Authors of publication: Bellott, Brian J.; Girolami, Gregory S.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2046
• a: 11.345 ± 0.003 Å
• b: 9.915 ± 0.003 Å
• c: 13.767 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1548.6 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No