Information card for entry 2016156

Structure parameters

• Common name: Compound (III)
• Chemical name: Tris(dimethylamido)bis(dimethylamine)titanium(IV) chlorido[tris(pentafluorophenyl)boron‒amido]\ [tris(pentafluorophenyl)boron‒nitrido]bis(dimethylamine)titanate(IV) toluene solvate
• Formula: C114 H111 B4 Cl2 F60 N18 Ti4
• Calculated formula: C107 H103 B4 Cl2 F60 N18 Ti4
• Title of publication: Tris(dimethylamido)bis(dimethylamine)titanium(IV) chloridobis(dimethylamine)[tris(pentafluorophenyl)boron‒amido][tris(pentafluorophenyl)boron‒nitrido]titanate(IV) toluene solvate
• Authors of publication: Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m401 - m404
• a: 12.898 ± 0.0012 Å
• b: 14.5217 ± 0.0015 Å
• c: 19.47 ± 0.002 Å
• α: 70.482 ± 0.009°
• β: 78.89 ± 0.007°
• γ: 77.513 ± 0.009°
• Cell volume: 3327 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1439
• 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: Yes