Information card for entry 7705022

Structure parameters

• Formula: C49 H49 B Cu F4 N O7 P2
• Calculated formula: C49 H49 B Cu F4 N O7 P2
• SMILES: [Cu]1([P](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)([P](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)[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: 11.3647 ± 0.0007 Å
• b: 14.0498 ± 0.0009 Å
• c: 16.4417 ± 0.001 Å
• α: 104.108 ± 0.003°
• β: 108.859 ± 0.003°
• γ: 99.858 ± 0.003°
• Cell volume: 2318.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1766
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No