Information card for entry 7707317

Structure parameters

• Formula: C21 H23 Br2 Cl2 N3 O6 Ti
• Calculated formula: C21 H23 Br2 Cl2 N3 O6 Ti
• Title of publication: Synthesis of asymmetrical diaminobis(alkoxo)-bisphenol compounds and their C₁-symmetrical mono-ligated titanium(iv) complexes as highly stable highly active antitumor compounds.
• Authors of publication: Nahari, Gilad; Tshuva, Edit Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 19
• Pages of publication: 6423 - 6426
• a: 10.0658 ± 0.0002 Å
• b: 24.2061 ± 0.0004 Å
• c: 10.8597 ± 0.0002 Å
• α: 90°
• β: 107.976 ± 0.002°
• γ: 90°
• Cell volume: 2516.84 ± 0.08 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No