Information card for entry 7051691

Structure parameters

• Formula: C24 H9 Cu F19 N2 O4 S
• Calculated formula: C24 H9 Cu F19 N2 O4 S
• SMILES: C1(=C(C(C(C1(F)F)(F)F)(F)F)F)c1c(C)sc(c2cccc[n]2[Cu]23(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)n1
• Title of publication: Photo-controlled release and uptake of Cu(hfac)2 in solution for a binuclear copper complex with a photochromic dithiazolylethene bridging ligand
• Authors of publication: Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Dorlet, Pierre; Métivier, Rémi; Nakatani, Keitaro
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1380
• a: 14.4416 ± 0.0004 Å
• b: 15.5291 ± 0.0004 Å
• c: 15.5304 ± 0.0003 Å
• α: 107.02 ± 0.001°
• β: 100.316 ± 0.001°
• γ: 104.63 ± 0.001°
• Cell volume: 3099.57 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No