Information card for entry 7004015

Structure parameters

• Chemical name: Ti(N-2,6-C6H3iPr2)(Me4DACH)Cl2 .CH2Cl2
• Formula: C23 H42 Cl4 N4 Ti
• Calculated formula: C23 H42 Cl4 N4 Ti
• Title of publication: Imido titanium compounds bearing the 6-dimethylamino-1,4,6-trimethyl-1,4-diazacycloheptane ligand: synthesis, structures, solution dynamics and ethylene polymerisation capability
• Authors of publication: Hayday, Gregory J.; Wang, Chao; Rees, Nicholas H.; Mountford, Philip
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 25
• Pages of publication: 3301 - 3310
• a: 9.3464 ± 0.0002 Å
• b: 13.9957 ± 0.0003 Å
• c: 21.1047 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2760.69 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P c m n
• Hall space group symbol: -P 2n 2ac
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.0347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No