Information card for entry 4319246

Structure parameters

• Chemical name: [Ti(NSiMe3)(L1)Cl]
• Formula: C34 H67 Cl N4 O2 Si Ti
• Calculated formula: C34 H67 Cl N4 O2 Si Ti
• SMILES: [Ti]123(Cl)([N]4(CC[N]1(CC[N]2(CC4)C(C)C)C(C)C)Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)=N[Si](C)(C)C.CCOCC
• Title of publication: Titanium tert-Butyl- and Trimethylsilyl-imido Complexes with Monopendant Arm Triazacyclononane Ligands
• Authors of publication: Jonathan D. Gardner; David A. Robson; Leigh H. Rees; Philip Mountford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 820 - 824
• a: 11 ± 0.004 Å
• b: 14.735 ± 0.003 Å
• c: 24.752 ± 0.009 Å
• α: 90°
• β: 103.128 ± 0.006°
• γ: 90°
• Cell volume: 3907 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No