Information card for entry 2213019

Structure parameters

• Chemical name: Trichlorido(η^5^-1,2,4-triphenylcyclopentadienyl)titanium(IV)
• Formula: C23 H15 Cl3 Ti
• Calculated formula: C23 H15 Cl3 Ti
• SMILES: [Ti]1234(Cl)(Cl)(Cl)[c]5([cH]4[c]3([cH]2[c]15c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Trichlorido(η^5^-1,2,4-triphenylcyclopentadienyl)titanium(IV)
• Authors of publication: Wu, Qiao-Lin; Su, Qing; Ye, Ling; Mu, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1160 - m1161
• a: 11.298 ± 0.002 Å
• b: 16.34 ± 0.003 Å
• c: 12.481 ± 0.003 Å
• α: 90°
• β: 116.08 ± 0.03°
• γ: 90°
• Cell volume: 2069.5 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0967
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes