Information card for entry 4326999

Structure parameters

• Formula: C44 H54 N6 Si2 Ti2
• Calculated formula: C44 H54 N6 Si2 Ti2
• SMILES: CN([Ti]1(N([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Ti](N(C)C)(N(C)C)N1[Si](c1ccccc1)(c1ccccc1)c1ccccc1)N(C)C)C
• Title of publication: Synthesis, Characterization, and Materials Chemistry of Group 4 Silylimides
• Authors of publication: Samuel D. Cosham; Andrew L. Johnson; Kieran C. Molloy; Andrew J. Kingsley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12053 - 12063
• a: 13.063 ± 0.0002 Å
• b: 12.816 ± 0.0002 Å
• c: 18.0421 ± 0.0003 Å
• α: 90°
• β: 133.606 ± 0.001°
• γ: 90°
• Cell volume: 2187.16 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No