Information card for entry 7048193

Structure parameters

• Formula: C27 H22 Cl2 N4 O6 Ti
• Calculated formula: C27 H22 Cl2 N4 O6 Ti
• Title of publication: Cytotoxic homoleptic Ti(iv) compounds of ONO-type ligands: synthesis, structures and anti-cancer activity.
• Authors of publication: Manne, Rajesh; Miller, Maya; Duthie, Andrew; Guedes da Silva, M Fátima C; Tshuva, Edit Y.; Basu Baul, Tushar S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 304 - 314
• a: 15.3453 ± 0.0014 Å
• b: 8.0522 ± 0.0007 Å
• c: 21.858 ± 0.002 Å
• α: 90°
• β: 102.079 ± 0.01°
• γ: 90°
• Cell volume: 2641.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1756
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No