Information card for entry 2204708

Structure parameters

• Chemical name: Di-μ-chloro-bis[(N-tert-butylimido)chlorobis(pyridine-κN)titanium(IV)] benzene disolvate
• Formula: C40 H38 Cl4 D12 N6 Ti2
• Calculated formula: C40 H50 Cl4 N6 Ti2
• Title of publication: Di-μ-chloro-bis[(<i>N</i>-<i>tert</i>-butylimido)chlorobis(pyridine-κ<i>N</i>)titanium(IV)] perdeuterobenzene disolvate
• Authors of publication: Nilay Hazari; Andrew R. Cowley; Philip Mountford
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1844 - m1846
• a: 8.0662 ± 0.0002 Å
• b: 11.0937 ± 0.0002 Å
• c: 12.7589 ± 0.0003 Å
• α: 101.626 ± 0.0009°
• β: 90.1675 ± 0.001°
• γ: 103.4 ± 0.0011°
• Cell volume: 1086.37 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0418
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No