Information card for entry 2005668

Structure parameters

• Formula: C26 H34 Cl2 N2 O2 Ti
• Calculated formula: C26 H34 Cl2 N2 O2 Ti
• SMILES: [Ti]123(Cl)(Cl)Oc4c(cc(cc4C=[N]2CC[N]3=Cc2cc(cc(c2O1)C(C)(C)C)C)C)C(C)(C)C
• Title of publication: Dichloro[<i>N</i>,<i>N</i>'-ethylenebis(3-<i>tert</i>-butyl-5-methylsalicylideneiminato)-<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>']titanium(IV), [TiCl~2~(C~26~H~34~N~2~O~2~)]
• Authors of publication: Repo, T.; Klinga, M.; Leskelä, M.; Pietikäinen, P.; Brunow, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2742 - 2745
• a: 10.608 ± 0.007 Å
• b: 9.782 ± 0.009 Å
• c: 25.999 ± 0.007 Å
• α: 90°
• β: 90.44 ± 0.04°
• γ: 90°
• Cell volume: 2698 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.2051
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections: 0.1591
• Weighted residual factors for significantly intense reflections: 0.1226
• Goodness-of-fit parameter for all reflections: 0.978
• Goodness-of-fit parameter for significantly intense reflections: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No