Information card for entry 2213043

Structure parameters

• Chemical name: μ-Oxo-bis{dichlorido[η^5^-2,3,4,5-tetramethyl-1-(4- methylphenyl)cyclopentadienyl]titanium(IV)}
• Formula: C32 H38 Cl4 O Ti2
• Calculated formula: C32 H38 Cl4 O Ti2
• SMILES: [c]12([c]3([c]4([c]5([c]1(c1ccc(cc1)C)[Ti]2345(O[Ti]1234([c]5([c]1([c]2([c]3([c]45c1ccc(cc1)C)C)C)C)C)(Cl)Cl)(Cl)Cl)C)C)C)C
• Title of publication: μ-Oxo-bis{dichlorido[η^5^-2,3,4,5-tetramethyl-1-(4-methylphenyl)cyclopentadienyl]titanium(IV)}
• Authors of publication: Wu, Qiao-Lin; Su, Qing; Ye, Ling; Li, Bao; Mu, Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1158 - m1159
• a: 16.268 ± 0.008 Å
• b: 13.459 ± 0.005 Å
• c: 15.019 ± 0.007 Å
• α: 90°
• β: 94.61 ± 0.02°
• γ: 90°
• Cell volume: 3278 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.048
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes