Information card for entry 7714980

Structure parameters

• Formula: C27 H16 Cl Cu F N2 O7
• Calculated formula: C27 H16 Cl Cu F N2 O7
• SMILES: [Cu]12(OC3=C(Oc4ccccc4C3=[O]1)c1ccc(F)cc1)[n]1cccc3c1c1[n]2cccc1cc3.Cl(=O)(=O)(=O)[O-]
• Title of publication: Cu(II) flavonoids as potential photochemotherapeutic agents.
• Authors of publication: Das, Namisha; Bora, Bidisha; Upadhyay, Aarti; Das, Dhananjay; Bera, Arpan; Goswami, Tridib K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3316 - 3329
• a: 13.162 ± 0.0003 Å
• b: 26.0801 ± 0.0006 Å
• c: 13.5797 ± 0.0004 Å
• α: 90°
• β: 94.001 ± 0.002°
• γ: 90°
• Cell volume: 4650.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No