Information card for entry 7021662

Structure parameters

• Formula: C28 H54 N6 Ti2
• Calculated formula: C28 H54 N6 Ti2
• SMILES: C12(CC3CC(C1)CC(C2)C3)N1[Ti](N(C)C)(N(C)C)N(C23CC4CC(C2)CC(C3)C4)[Ti]1(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: 8.6759 ± 0.0001 Å
• b: 18.4936 ± 0.0004 Å
• c: 10.1458 ± 0.0002 Å
• α: 90°
• β: 109.043 ± 0.003°
• γ: 90°
• Cell volume: 1538.79 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No