Information card for entry 4104848

Structure parameters

• Common name: TAP(Dipp)Cu(3-hexyne)
• Formula: C38 H44 Cu F14 N3
• Calculated formula: C38 H44 Cu F14 N3
• SMILES: [Cu]12(N(C(=NC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C(C(F)(F)F)(F)F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)c1c(cccc1C(C)C)C(C)C)[C](CC)#[C]2CC
• Title of publication: Monomeric Copper(I), Silver(I), and Gold(I) Alkyne Complexes and the Coinage Metal Family Group Trends
• Authors of publication: H. V. Rasika Dias; Jaime A. Flores; Jiang Wu; Peter Kroll
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11249 - 11255
• a: 9.1036 ± 0.0003 Å
• b: 12.5604 ± 0.0005 Å
• c: 17.6485 ± 0.0006 Å
• α: 81.606 ± 0.001°
• β: 79.605 ± 0.001°
• γ: 80.286 ± 0.001°
• Cell volume: 1942.49 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No