Information card for entry 7720448

Structure parameters

• Formula: C120 H104 N16 O16 Ti4
• Calculated formula: C120 H104 N8 O24 Ti4
• Title of publication: Synthesis, characterization and <i>in vitro</i> studies of metallacyclic derivatives of titanium(IV) incorporated with Schiff's bases: DNA/BSA binding, computational aspects and cytotoxic potential.
• Authors of publication: Subramaniyan, Mahabarathi; Thanigachalam, Sathish; Salimath, Shivabasayya V.; Ramasamy, Selva Kumar; George, Kevin; Pathak, Madhvesh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1806 - 1832
• a: 9.835 ± 0.002 Å
• b: 9.835 ± 0.002 Å
• c: 26.225 ± 0.005 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 2536.7 ± 0.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No