Information card for entry 4322210

Structure parameters

• Formula: C51 H39 Cu O3 P2
• Calculated formula: C51 H39 Cu O3 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)OC2C(=[O]1)c1ccccc1OC=2c1ccccc1
• Title of publication: Quercetin 2,3-Dioxygenase Mimicking Ring Cleavage of the Flavonolate Ligand Assisted by Copper. Synthesis and Characterization of Copper(I) Complexes [Cu(PPh~3~)~2~(fla)] (fla = Flavonolate) and [Cu(PPh~3~)~2~(O-bs)] (O-bs = O-Benzoylsalicylate)
• Authors of publication: Éva Balogh-Hergovich; József Kaizer; Gábor Speier; Vilmos Fülöp; László Párkányi
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3787 - 3795
• a: 9.588 ± 0.001 Å
• b: 17.364 ± 0.003 Å
• c: 24.378 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4058.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.1238
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.142
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No