Information card for entry 2215534

Structure parameters

• Chemical name: μ-Oxo-bis[dichlorido(diethylamido-κN)(diethylamine-κN)titanium(IV)]
• Formula: C16 H42 Cl4 N4 O Ti2
• Calculated formula: C16 H42 Cl4 N4 O Ti2
• SMILES: [NH](CC)(CC)[Ti](N(CC)CC)(O[Ti]([NH](CC)CC)(N(CC)CC)(Cl)Cl)(Cl)Cl
• Title of publication: μ-Oxido-bis[dichlorido(diethylamido-κ<i>N</i>)(diethylamine-κ<i>N</i>)titanium(IV)]
• Authors of publication: Straessler, Nicholas A.; Caudle, M. Tyler; Groy, Thomas L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2563 - m2563
• a: 13.204 ± 0.003 Å
• b: 10.131 ± 0.002 Å
• c: 20.795 ± 0.005 Å
• α: 90°
• β: 99.973 ± 0.003°
• γ: 90°
• Cell volume: 2739.7 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes