Information card for entry 7720447

Structure parameters

• Formula: C56 H45.47 N4 O14 Ti2
• Calculated formula: C56 H43.2 N4 O12 Ti2.5
• 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: 41.158 ± 0.003 Å
• b: 13.0488 ± 0.0009 Å
• c: 9.6912 ± 0.0006 Å
• α: 90°
• β: 96.608 ± 0.002°
• γ: 90°
• Cell volume: 5170.2 ± 0.6 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2258
• Residual factor for significantly intense reflections: 0.1625
• Weighted residual factors for significantly intense reflections: 0.3797
• Weighted residual factors for all reflections included in the refinement: 0.4189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No