Information card for entry 7032706

Structure parameters

• Formula: C34 H54 Cl2 N2 O2 Ti
• Calculated formula: C34 H54 Cl2 N2 O2 Ti
• 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: 16.7 ± 0.0011 Å
• b: 15.639 ± 0.001 Å
• c: 15.174 ± 0.001 Å
• α: 90°
• β: 115.821 ± 0.002°
• γ: 90°
• Cell volume: 3567.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1358
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No