Information card for entry 2008632

Structure parameters

• Formula: C12 H14 Cl4 N2 Ti
• Calculated formula: C12 H14 Cl4 N2 Ti
• Title of publication: Addition compounds of titanium tetrachloride with aromatic nitrogen bases
• Authors of publication: Hensen, Karl; Lemke, Alexander; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 863 - 867
• a: 7.184 ± 0.001 Å
• b: 8.014 ± 0.002 Å
• c: 14.151 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 814.7 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections: 1.31
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No