Information card for entry 7032707

Structure parameters

• Formula: C84 H142 N4 O11 Ti2
• Calculated formula: C84 H142 N4 O11 Ti2
• Title of publication: Synthesis, cytotoxic and hydrolytic studies of titanium complexes anchored by a tripodal diamine bis(phenolate) ligand.
• Authors of publication: Barroso, Sónia; Coelho, Ana M.; Gómez-Ruiz, Santiago; Calhorda, Maria José; Zižak, Zeljko; Kaluđerović, Goran N; Martins, Ana M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17422 - 17433
• a: 13.08 ± 0.002 Å
• b: 13.894 ± 0.003 Å
• c: 23.193 ± 0.004 Å
• α: 90°
• β: 95.62 ± 0.009°
• γ: 90°
• Cell volume: 4194.7 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1721
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No