Information card for entry 7021668

Structure parameters

• Formula: C32 H58 N6 Ti2
• Calculated formula: C32 H58 N6 Ti2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1[Ti](N(c2c(cccc2C(C)C)C(C)C)[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: 9.7228 ± 0.0003 Å
• b: 10.4433 ± 0.0003 Å
• c: 18.5184 ± 0.0005 Å
• α: 77.236 ± 0.002°
• β: 75.656 ± 0.002°
• γ: 79.334 ± 0.002°
• Cell volume: 1759.7 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No