Information card for entry 4318581

Structure parameters

• Formula: C17 H25 Cl5 N4 O S2 Ti
• Calculated formula: C17 H25 Cl5 N4 O S2 Ti
• Title of publication: Preparation of New Monoanionic "Scorpionate" Ligands: Synthesis and Structural Characterization of Titanium(IV) Complexes Bearing This Class of Ligand
• Authors of publication: A. Otero; J. Fernández-Baeza; A. Antiñolo; F. Carrillo-Hermosilla; J. Tejeda; A. Lara-Sánchez; L. Sánchez-Barba; M. Fernández-López; A. M. Rodríguez; I. López-Solera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5193 - 5202
• a: 12.172 ± 0.001 Å
• b: 15.645 ± 0.001 Å
• c: 14.332 ± 0.001 Å
• α: 90°
• β: 112.62 ± 0.01°
• γ: 90°
• Cell volume: 2519.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1361
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No