Information card for entry 2238911

Structure parameters

• Chemical name: Di-μ-oxido-bis({2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate
• Formula: C34 H34 Cl6 N4 O6 Ti2
• Calculated formula: C34 H34 Cl6 N4 O6 Ti2
• SMILES: C(Cl)(Cl)Cl.O1c2ccccc2C=[N]2[Ti]341(Oc1ccccc1C[NH]3CC2)O[Ti]123([N](=Cc5c(O2)cccc5)CC[NH]1Cc1c(O3)cccc1)O4.C(Cl)(Cl)Cl
• Title of publication: Di-μ-oxido-bis({2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate
• Authors of publication: Zaitsev, Kirill V.; Karlov, Sergey S.; Piskun, Yulia A.; Vasilenko, Irina V.; Churakov, Andrei V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m635 - m636
• a: 10.237 ± 0.003 Å
• b: 10.356 ± 0.003 Å
• c: 10.936 ± 0.003 Å
• α: 117.075 ± 0.004°
• β: 93.113 ± 0.004°
• γ: 110.463 ± 0.004°
• Cell volume: 935 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No