Information card for entry 4077241

Structure parameters

• Formula: C16 H23 Cl3 N4 O3 Ti
• Calculated formula: C16 H23 Cl3 N4 O3 Ti
• Title of publication: Polymerization of Ethylene by the Electrophilic Heteroscorpionate-Containing Complexes [TiCl3(bdmpza)] and [TiCl2(bdmpza){O(CH2)4Cl}] (bdmpza = Bis(3,5-dimethylpyrazol-1-yl)acetate)
• Authors of publication: Otero, A.; Fernández-Baeza, J.; Antiñolo, A.; Carrillo-Hermosilla, F.; Tejeda, J.; Díez-Barra, E.; Lara-Sanchez, A.; Sanchez-Barba, L.; López-Solera, I.; Ribeiro, M. R.; Campos, J. M.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 12
• Pages of publication: 2428
• a: 7.987 ± 0.001 Å
• b: 16.209 ± 0.001 Å
• c: 16.996 ± 0.001 Å
• α: 90°
• β: 100.47°
• γ: 90°
• Cell volume: 2163.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2943
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No