Information card for entry 4076099

Structure parameters

• Formula: C14 H23 Cl2 N Ti
• Calculated formula: C14 H23 Cl2 N Ti
• SMILES: [Ti]12345(Cl)(Cl)N(C([c]61[cH]2[cH]3[cH]4[cH]56)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems
• Authors of publication: Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 4760
• a: 15.058 ± 0.001 Å
• b: 18.737 ± 0.001 Å
• c: 12.564 ± 0.001 Å
• α: 90°
• β: 114.18 ± 0.01°
• γ: 90°
• Cell volume: 3233.8 ± 0.5 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No