Information card for entry 7012050

Structure parameters

• Common name: [Cu(hfac)(HCCCH2OCH3)]
• Formula: C9 H7 Cu F6 O3
• Calculated formula: C9 H7 Cu F6 O3
• Title of publication: Luminescent high nuclearity Cu(i)-alkynyl clusters, [Cu16(hfac)8(3,3-dimethyl-1-butynyl)8] and [Cu20(hfac)8(3-phenyl-1-propynyl)12]
• Authors of publication: Baxter, Christopher W.; Higgs, Timothy C.; Jones, Anita C.; Parsons, Simon; Bailey, Philip J.; Tasker, Peter A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4395
• a: 16.276 ± 0.009 Å
• b: 4.635 ± 0.003 Å
• c: 16.522 ± 0.009 Å
• α: 90°
• β: 99.627 ± 0.009°
• γ: 90°
• Cell volume: 1228.9 ± 1.2 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No