Information card for entry 7113237

Structure parameters

• Common name: tetra-(3-fluorobenzoato-O,O')-tetracopper(I,I,I,I)
• Chemical name: tetra-(3-fluorobenzoato-O,O')-tetracopper(I,I,I,I)
• Formula: C28 H16 Cu4 F4 O8
• Calculated formula: C28 H16 Cu4 F4 O8
• SMILES: C1(c2cc(ccc2)F)=[O][Cu]234OC(c5cccc(F)c5)=[O][Cu]54OC(c4cc(ccc4)F)=[O][Cu]435[Cu]2(O1)[O]=C(c1cc(F)ccc1)O4
• 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: 17.1591 ± 0.0018 Å
• b: 16.0078 ± 0.0016 Å
• c: 12.3894 ± 0.0013 Å
• α: 90°
• β: 129.578 ± 0.001°
• γ: 90°
• Cell volume: 2623 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102140
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No