Information card for entry 4074399

Structure parameters

• Chemical name: Ti(N-3,5-C6H3(CF3)2)(Me3[9]aneN3)Me2
• Formula: C19 H30 F6 N4 Ti
• Calculated formula: C19 H30 F6 N4 Ti
• Title of publication: Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3
• Authors of publication: Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5549
• a: 8.5573 ± 0.0002 Å
• b: 14.108 ± 0.0002 Å
• c: 18.5066 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2234.23 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No