Information card for entry 7239406

Structure parameters

• Formula: C28 H34 N6 O2 Ti
• Calculated formula: C28 H34 N6 O2 Ti
• Title of publication: Titanium isopropoxide complexes supported by pyrrolyl Schiff base ligands: syntheses, structures, and antitumor activity
• Authors of publication: Lin, Miaoshui; Cao, Yuhua; Pei, Hao; Chen, Yanmei; Wu, Jian; Li, Yahong; Liu, Wei
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 18
• Pages of publication: 9255
• a: 10.2191 ± 0.0008 Å
• b: 11.418 ± 0.001 Å
• c: 24.491 ± 0.002 Å
• α: 90°
• β: 100.554 ± 0.002°
• γ: 90°
• Cell volume: 2809.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0739
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1842
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No