Information card for entry 7102141

Structure parameters

• Common name: tetra-(2,3,4-trifluorobenzoato-O,O')-tetracopper(I,I,I,I)
• Chemical name: tetra-(2,3,4-trifluorobenzoato-O,O')-tetracopper(I,I,I,I)
• Formula: C28 H8 Cu4 F12 O8
• Calculated formula: C28 H8 Cu4 F12 O8
• SMILES: O1[Cu]23[Cu]4([O]=C1c1c(c(c(cc1)F)F)F)OC(c1c(c(c(cc1)F)F)F)=[O][Cu]14[Cu]3([O]=C(c3c(c(c(cc3)F)F)F)O2)OC(c2c(c(c(cc2)F)F)F)=[O]1
• Title of publication: Tetranuclear copper(I) clusters: impact of bridging carboxylate ligands on solid state structure and photoluminescence
• Authors of publication: Sevryugina, Yulia; Hietsoi, Oleksandr; Petrukhina, Marina A.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 3853 - 3855
• a: 15.7443 ± 0.0019 Å
• b: 16.574 ± 0.002 Å
• c: 21.682 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5658.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No