Information card for entry 7012147

Structure parameters

• Common name: [Cu18(hfac)10(hexynyl)8]
• Formula: C98 H82 Cu18 F60 O20
• Calculated formula: C98 H82 Cu18 F60 O20
• Title of publication: [Cu18(hfac)10(C???CC4Hn9)8]; Crystal structure of a novel luminescent cage compound with a ???triple copper sheet??? structural motif
• Authors of publication: Higgs, Timothy C.; Parsons, Simon; Jones, Anita C.; Bailey, Philip J.; Tasker, Peter A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3427
• a: 17.7043 ± 0.0018 Å
• b: 25.492 ± 0.003 Å
• c: 28.138 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12699 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No