Information card for entry 7027697

Structure parameters

• Formula: C32 H20 Cl6 Cu O6
• Calculated formula: C32 H20 Cl6 Cu O6
• SMILES: C(Cl)(Cl)Cl.[Cu]12(OC3=C(Oc4c(C3=[O]1)cccc4)c1ccccc1)OC1=C(Oc3c(C1=[O]2)cccc3)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Kinetic studies on the copper(II)-mediated oxygenolysis of the flavonolate ligand. Crystal structures of [Cu(fla)2] (fla = flavonolate) and [Cu(O-bs)2(py)3] (O-bs = O-benzoylsalicylate) †
• Authors of publication: Balogh-Hergovich, Éva; Kaizer, József; Speier, Gábor; Argay, Gyula; Párkányi, László
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3847
• a: 7.273 ± 0.001 Å
• b: 10.691 ± 0.001 Å
• c: 11.229 ± 0.001 Å
• α: 103.77 ± 0.02°
• β: 105.76 ± 0.02°
• γ: 99.61 ± 0.02°
• Cell volume: 790.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.1717
• Weighted residual factors for significantly intense reflections: 0.1472
• Goodness-of-fit parameter for all reflections: 0.488
• Goodness-of-fit parameter for significantly intense reflections: 0.501
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No