Information card for entry 7713654

Structure parameters

• Formula: C55 H37 Cu F12 O2 P2
• Calculated formula: C55 H37 Cu F12 O2 P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)OC(=CC(=[O]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis and cytotoxicity studies of Cu(I) and Ag(I) complexes based on sterically hindered β-diketonates with different degrees of fluorination
• Authors of publication: Pellei, Maura; Del Gobbo, Jo'; Caviglia, Miriam; Karade, Deepika V.; Gandin, Valentina; Marzano, Cristina; Noonikara Poyil, Anurag; Dias, Rasika; Santini, Carlo
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 13.5755 ± 0.0006 Å
• b: 19.2736 ± 0.0008 Å
• c: 20.1001 ± 0.0009 Å
• α: 102.557 ± 0.001°
• β: 94.34 ± 0.001°
• γ: 97.166 ± 0.001°
• Cell volume: 5064.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No