Information card for entry 2238818

Structure parameters

• Chemical name: Di-μ-oxido-bis({2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate
• Formula: C34 H30 Cl6 N4 O6 Ti2
• Calculated formula: C34 H30 Cl6 N4 O6 Ti2
• SMILES: C(Cl)(Cl)Cl.[N]12=Cc3c(O[Ti]451([N](=Cc1c(O4)cccc1)CC2)O[Ti]124([N](=Cc6c(O2)cccc6)CC[N]1=Cc1c(O4)cccc1)O5)cccc3.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.; Zaitseva, Galina S.; Lermontova, Elmira Kh.; Churakov, Andrei V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: m626 - m627
• a: 8.8115 ± 0.001 Å
• b: 11.4587 ± 0.0013 Å
• c: 18.785 ± 0.002 Å
• α: 90°
• β: 98.226 ± 0.002°
• γ: 90°
• Cell volume: 1877.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No