Information card for entry 7708126

Structure parameters

• Common name: [Cu(L5)Cl](PF6)
• Formula: C25 H33 Cl Cu F6 N7 P
• Calculated formula: C25 H33 Cl Cu F6 N7 P
• SMILES: [Cu]123([N](CCn4c(cc([n]14)C)C)(CCn1[n]2c(cc1C)C)Cn1[n]3c(cc1c1ccccc1)C)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Identification of potent anticancer copper(II) complexes containing tripodal bis[2-ethyl-di(3,5-dialkyl-1<i>H</i>-pyrazol-1-yl)]amine moiety.
• Authors of publication: Massoud, Salah S.; Louka, Febee R.; Dial, Madison T.; Malek, Andrew J.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Malina, Tomáš; Dvořák, Zdeněk; Trávníček, Zdeněk
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 33
• Pages of publication: 11521 - 11534
• a: 10.575 ± 0.0006 Å
• b: 12.4521 ± 0.0007 Å
• c: 13.0589 ± 0.0008 Å
• α: 69.599 ± 0.003°
• β: 68.263 ± 0.003°
• γ: 71.979 ± 0.003°
• Cell volume: 1464.7 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No