Information card for entry 2229964

Structure parameters

• Chemical name: <i>rac</i>-(<i>OC</i>-6-33)-Bis[2-(<i>N</i>-benzyliminomethyl-κ<i>N</i>)- 1<i>H</i>-imidazol-1-ido-κ<i>N</i>^1^]bis(ethylamido)titanium(IV)
• Formula: C30 H40 N8 Ti
• Calculated formula: C30 H40 N8 Ti
• SMILES: [Ti]12(n3c(ncc3)C=[N]1Cc1ccccc1)(n1c(ncc1)C=[N]2Cc1ccccc1)(N(CC)CC)N(CC)CC
• Title of publication: <i>rac</i>-(<i>OC</i>-6-33)-bis[2-(<i>N</i>-Benzylmethyliminomethyl-κ<i>N</i>)-1<i>H</i>-imidazol-1-ido-κ<i>N</i>^1^]bis(ethylamido)titanium(IV)
• Authors of publication: Li, Zhao; Nie, Wanli; Borzov, Maxim V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m590 - m591
• a: 9.6465 ± 0.0009 Å
• b: 10.3796 ± 0.001 Å
• c: 16.3341 ± 0.0016 Å
• α: 102.931 ± 0.002°
• β: 102.082 ± 0.002°
• γ: 93.184 ± 0.002°
• Cell volume: 1549.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes