Information card for entry 7021666

Structure parameters

• Formula: C34 H51 N9 Ti3
• Calculated formula: C34 H51 N9 Ti3
• SMILES: c1(ccccc1)[N]12[Ti]3(N(c4ccccc4)[Ti]1(N(c1ccccc1)[Ti]2(N3c1ccccc1)(N(C)C)[NH](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: 10.501 ± 0.002 Å
• b: 27.443 ± 0.005 Å
• c: 13.322 ± 0.003 Å
• α: 90°
• β: 90.77 ± 0.03°
• γ: 90°
• Cell volume: 3838.8 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No