Information card for entry 2238842

Structure parameters

• Chemical name: [6,6'-Bis(1,1-dimethylethyl)-4,4'-dimethyl-2,2'-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>']dichlorido(9<i>H</i>-fluoren-9-ol-κ<i>O</i>)titanium(IV)–fluorene–diethyl ether (1/0.5/1)
• Formula: C46.5 H55 Cl2 O4 Ti
• Calculated formula: C46.5 H55 Cl2 O4 Ti
• Title of publication: [6,6'-Bis(1,1-dimethylethyl)-4,4'-dimethyl-2,2'-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>']dichlorido(9<i>H</i>-fluoren-9-ol-κ<i>O</i>)titanium(IV)–fluorene–diethyl ether (1/0.5/1)
• Authors of publication: Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m673 - m674
• a: 12.71 ± 0.003 Å
• b: 13.227 ± 0.003 Å
• c: 14.431 ± 0.003 Å
• α: 110.28 ± 0.03°
• β: 109.22 ± 0.03°
• γ: 91.72 ± 0.03°
• Cell volume: 2120.2 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No