Information card for entry 7021664

Structure parameters

• Formula: C44 H54 N6 Si2 Ti2
• Calculated formula: C44 H54 N6 Si2 Ti2
• SMILES: c1(ccccc1)[Si](c1ccccc1)(c1ccccc1)N1[Ti](N([Si](c2ccccc2)(c2ccccc2)c2ccccc2)[Ti]1(N(C)C)N(C)C)(N(C)C)N(C)C
• Title of publication: Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.
• Authors of publication: Lorber, Christian; Vendier, Laure
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12203 - 12219
• a: 12.8129 ± 0.0018 Å
• b: 15.846 ± 0.003 Å
• c: 11.4001 ± 0.0017 Å
• α: 90°
• β: 108.955 ± 0.016°
• γ: 90°
• Cell volume: 2189.1 ± 0.6 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.2369
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No