Information card for entry 2023333

Structure parameters

• Chemical name: Dichlorido{1,1'-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-<i>a</i>]pyridine]-κ^2^<i>N</i>,<i>N</i>'}copper(II)
• Formula: C33 H21 Cl2 Cu F3 N4
• Calculated formula: C33 H21 Cl2 Cu F3 N4
• SMILES: [Cu]1(Cl)([n]2c(n3ccccc3c2C(c2[n]1c(n1c2cccc1)c1cc(F)ccc1)c1cc(F)ccc1)c1cc(F)ccc1)Cl
• Title of publication: Syntheses, structures and anticancer activities of CuII and ZnII complexes containing 1,1′-[(3-fluorophenyl)methylene]bis[3-(3-fluorophenyl)imidazo[1,5-a]pyridine]
• Authors of publication: Le Thi Hong, Hai; Nguyen Van, Hau; Hoang Tuan, Duong; Tran Quang, Hung; Dang Thanh, Tuan; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• a: 9.3994 ± 0.0002 Å
• b: 10.8016 ± 0.0003 Å
• c: 15.2355 ± 0.0004 Å
• α: 104.272 ± 0.002°
• β: 99.186 ± 0.002°
• γ: 101.529 ± 0.002°
• Cell volume: 1432.86 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No