Information card for entry 7050044

Structure parameters

• Formula: C20 H36 F18 N2 S6 Ti
• Calculated formula: C20 H36 F18 N2 S6 Ti
• SMILES: C(C(F)(F)F)S[Ti](SCC(F)(F)F)(SCC(F)(F)F)(SCC(F)(F)F)(SCC(F)(F)F)SCC(F)(F)F.C(C)[NH2+]CC.C(C)[NH2+]CC
• Title of publication: Reactivity of tetrakisdimethylamido-titanium(iv) and -zirconium(iv) with thiols
• Authors of publication: Carmalt, Claire J.; Peters, Emily S.; Parkin, Ivan P.; Tocher, Derek A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 620
• a: 8.173 ± 0.006 Å
• b: 10.794 ± 0.008 Å
• c: 10.913 ± 0.008 Å
• α: 69.848 ± 0.013°
• β: 85.759 ± 0.013°
• γ: 82.043 ± 0.013°
• Cell volume: 894.7 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No