Information card for entry 7033840

Structure parameters

• Formula: C19 H22 Cl2 N4 Ti
• Calculated formula: C19 H22 Cl2 N4 Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=C(Nc5cccc6ccc(nc56)C)N(C)C)[c]5([cH]1[cH]2[cH]3[cH]45)C
• Title of publication: Inserted products of lithium silylquinolylamide dimers [{8-(2-R-C9H5N)N(Me3Si)}Li·OEt2]2 (R = H or Me) with dimethylcyanamide and their reactive derivatives with metal halides.
• Authors of publication: Wang, Peng; Li, Haifen; Xue, Xiaoyan; Chen, Xia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4718 - 4725
• a: 12.856 ± 0.002 Å
• b: 7.1985 ± 0.0011 Å
• c: 21.868 ± 0.003 Å
• α: 90°
• β: 102.232 ± 0.002°
• γ: 90°
• Cell volume: 1977.8 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2328
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No