Information card for entry 7058245

Structure parameters

• Common name: [Cu(BPQA)Cl]PF6
• Formula: C22 H20 Cl Cu F6 N4 P
• Calculated formula: C22 H20 Cl Cu F6 N4 P
• Title of publication: Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents
• Authors of publication: Massoud, Salah S.; Louka, Febee R.; Tusa, Ada F.; Bordelon, Nicole E.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Hošek, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 16
• Pages of publication: 6186
• a: 12.7761 ± 0.0004 Å
• b: 12.9219 ± 0.0004 Å
• c: 14.693 ± 0.0005 Å
• α: 90°
• β: 106.9 ± 0.002°
• γ: 90°
• Cell volume: 2320.93 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.031
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No