Information card for entry 7218694

Structure parameters

• Formula: C41 H48 Cu F24 N8 O2 P4
• Calculated formula: C41 H48 Cu F24 N8 O2 P4
• SMILES: [Cu]123([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)[n]1ccc(OCC[NH+]2CCCCC2)cc1c1[n]3ccc(OCC[NH+]2CCCCC2)c1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: New ternary Bipyridine-Terpyridine Copper(II) complexes as self-activating chemical nucleases
• Authors of publication: Gama, Sofia; Rodrigues, Inês; Marques, Fernanda; Palma, Elisa; Correia, Isabel; Carvalho, M. Fernanda N.N.; Pessoa, João Costa; Cruz, Andreia; Mendo, Sónia; Santos, Isabel Cordeiro; Mendes, Filipa; Santos, Isabel; Paulo, Antonio
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 8.2891 ± 0.0007 Å
• b: 17.7944 ± 0.0008 Å
• c: 19.6703 ± 0.001 Å
• α: 78.996 ± 0.002°
• β: 85.893 ± 0.002°
• γ: 89.038 ± 0.002°
• Cell volume: 2840.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.216
• Weighted residual factors for all reflections included in the refinement: 0.2456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No