Information card for entry 7058578

Structure parameters

• Formula: C54 H42 B Cu F4 Fe N4 P2
• Calculated formula: C54 H42 B Cu F4 Fe N4 P2
• Title of publication: First heterobimetallic Cu(i)‒dppf complexes designed for anticancer applications: synthesis, structural characterization and cytotoxicity
• Authors of publication: Bravo, Catarina; Robalo, M. Paula; Marques, Fernanda; Fernandes, Alexandra R.; Sequeira, Diogo A.; M. Piedade, M. Fátima; Garcia, M. Helena; de Brito, Maria J. Villa; Morais, Tânia S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12308
• a: 14.0683 ± 0.0008 Å
• b: 23.0888 ± 0.0013 Å
• c: 16.091 ± 0.0009 Å
• α: 90°
• β: 108.621 ± 0.002°
• γ: 90°
• Cell volume: 4953.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 571 ± 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: 0.078
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No