Information card for entry 2239106

Structure parameters

• Chemical name: Bis(μ~2~-isopropylimido-κ^2^<i>N</i>:<i>N</i>)bis[(η^5^-cyclopentadienyl)(ethenolato-κ<i>O</i>)titanium(IV)]
• Formula: C20 H30 N2 O2 Ti2
• Calculated formula: C20 H30 N2 O2 Ti2
• SMILES: C(=C)O[Ti]123456(N(C(C)C)[Ti]789%106([cH]6[cH]7[cH]8[cH]9[cH]%106)(N4C(C)C)OC=C)[cH]4[cH]1[cH]2[cH]3[cH]54
• Title of publication: Bis(μ~2~-isopropylimido-κ^2^<i>N</i>:<i>N</i>)bis[(η^5^-cyclopentadienyl)(ethenolato-κ<i>O</i>)titanium(IV)]
• Authors of publication: Haehnel, Martin; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: m16
• a: 13.8746 ± 0.0004 Å
• b: 9.7484 ± 0.0002 Å
• c: 16.3264 ± 0.0004 Å
• α: 90°
• β: 106.593 ± 0.002°
• γ: 90°
• Cell volume: 2116.27 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0693
• 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