Information card for entry 7021670

Structure parameters

• Formula: C24 H53 N7 Ti2
• Calculated formula: C24 H53 N7 Ti2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N([Ti](N(C)C)(N(C)C)N(C)C)[Ti](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: 17.0404 ± 0.0007 Å
• b: 16.0775 ± 0.0006 Å
• c: 23.1921 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6353.9 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No