Information card for entry 2200356

Structure parameters

• Chemical name: Dichlorobis(eta(5)-1,2,4-trimethylcyclopentadienyl)titanium(IV)
• Formula: C16 H22 Cl2 Ti
• Calculated formula: C16 H22 Cl2 Ti
• SMILES: [c]12([cH]3[Ti]4567892([c]1(C)[cH]5[c]37C)([c]1([cH]9[c]8([cH]6[c]41C)C)C)(Cl)Cl)C
• Title of publication: Dichlorobis(η^5^-1,2,4-trimethylcyclopentadienyl)titanium(IV)
• Authors of publication: Howie, R. Alan; McQuillan, Geoffrey P.; Thompson, David W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: m181 - m182
• a: 16.788 ± 0.013 Å
• b: 6.791 ± 0.007 Å
• c: 15.814 ± 0.013 Å
• α: 90°
• β: 119.89 ± 0.06°
• γ: 90°
• Cell volume: 1563 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes