Information card for entry 7021673

Structure parameters

• Formula: C48 H76 N4 Ti
• Calculated formula: C48 H76 N4 Ti
• SMILES: c1(c(cccc1C(C)C)C(C)C)[NH2][Ti]([NH2]c1c(cccc1C(C)C)C(C)C)([NH2]c1c(cccc1C(C)C)C(C)C)[NH2]c1c(cccc1C(C)C)C(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: 19.1831 ± 0.0006 Å
• b: 13.111 ± 0.0004 Å
• c: 18.5082 ± 0.0006 Å
• α: 90°
• β: 91.513 ± 0.003°
• γ: 90°
• Cell volume: 4653.4 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No