Information card for entry 4075329

Structure parameters

• Formula: C32 H25 B F20 N4 Ti
• Calculated formula: C32 H25 B F20 N4 Ti
• SMILES: [Ti](N(C)C)([NH](C)C)(N(C)C)N(C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Ti(NMe2)4and [HNMe2Ph][B(C6F5)4]: A Convenient Blend for Effective Catalytic Carboamination of Alkynes
• Authors of publication: Aneetha, Halikhedkar; Basuli, Falguni; Bollinger, John; Huffman, John C.; Mindiola, Daniel J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2402
• a: 14.454 ± 0.0017 Å
• b: 17.392 ± 0.002 Å
• c: 17.702 ± 0.002 Å
• α: 109.676 ± 0.003°
• β: 108.043 ± 0.003°
• γ: 106.675 ± 0.003°
• Cell volume: 3583.6 ± 0.7 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No