Information card for entry 1571121

Structure parameters

• Formula: C27 H35 Cu F6 N9 P3
• Calculated formula: C27 H35 Cu F6 N9 P3
• SMILES: [Cu]1([P]23CN4CN(CN(C2)C4)C3)([P]23CN4CN(C2)CN(C3)C4)[n]2c(c3ncccc3)cccc2c2[n]1cccc2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Design, Synthesis, and Anti-Cancer Evaluation of Novel Water-Soluble Copper(I) Complexes Bearing Terpyridine and PTA Ligands
• Authors of publication: Smoleński, Piotr; Śliwińska-Hill, Urszula; Kwiecień, Anna; Wolińska, Joanna; Poradowski, Dominik
• Journal of publication: Molecules
• Year of publication: 2024
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 945
• a: 10.4364 ± 0.0003 Å
• b: 13.7629 ± 0.0004 Å
• c: 21.5413 ± 0.0005 Å
• α: 90°
• β: 98.343 ± 0.003°
• γ: 90°
• Cell volume: 3061.34 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No