Information card for entry 4074400

Structure parameters

• Chemical name: Ti(N-2,6-C6H3iPr2)(Me3[9]aneN3)Me2
• Formula: C23 H44 N4 Ti
• Calculated formula: C23 H44 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: 9.1367 ± 0.0003 Å
• b: 16.2609 ± 0.0005 Å
• c: 16.4873 ± 0.0005 Å
• α: 90°
• β: 93.5206 ± 0.0016°
• γ: 90°
• Cell volume: 2444.91 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0845
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No