Information card for entry 2234784

Structure parameters

• Chemical name: Bis[2-(benzyliminomethyl)pyrrol-1-ido- κ^2^<i>N</i>,<i>N</i>']bis(dimethylamido-κ<i>N</i>)titanium(IV)
• Formula: C28 H34 N6 Ti
• Calculated formula: C28 H34 N6 Ti
• SMILES: [Ti]12(n3c(C=[N]1Cc1ccccc1)ccc3)([N](=Cc1n2ccc1)Cc1ccccc1)(N(C)C)N(C)C
• Title of publication: Bis[2-(benzyliminomethyl)pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>']bis(dimethylamido-κ<i>N</i>)titanium(IV)
• Authors of publication: Chen, Zhou; Liu, Yonglu; Li, Yahong; Hu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m573
• a: 8.6363 ± 0.0017 Å
• b: 9.887 ± 0.002 Å
• c: 16.666 ± 0.003 Å
• α: 77.15 ± 0.03°
• β: 84.72 ± 0.03°
• γ: 71.82 ± 0.03°
• Cell volume: 1317.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes