Information card for entry 7705021

Structure parameters

• Formula: C43 H37 B Cu F4 N O P2
• Calculated formula: C43 H37 B Cu F4 N O P2
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(c2[n]1cccc2)C.[B](F)(F)(F)[F-]
• Title of publication: New copper(I) complexes selective for prostate cancer cells.
• Authors of publication: Machado, João Franco; Sequeira, Diogo; Marques, Fernanda; Piedade, M Fátima M; Villa de Brito, Maria J.; Helena Garcia, M.; Fernandes, Alexandra R.; Morais, Tânia S
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 35
• Pages of publication: 12273 - 12286
• a: 10.1481 ± 0.0006 Å
• b: 15.2715 ± 0.0008 Å
• c: 24.6619 ± 0.0013 Å
• α: 90°
• β: 90.862 ± 0.003°
• γ: 90°
• Cell volume: 3821.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No