Information card for entry 2018034

Structure parameters

• Chemical name: <i>tert</i>-butylarsenium(V) tri-μ-chlorido-bis[trichloridotitanium(IV)]
• Formula: C4 H12 As Cl9 Ti2
• Calculated formula: C4 H12 As Cl9 Ti2
• Title of publication: Novel ion pairs obtained from the reaction of titanium(IV) halides with simple arsane ligands
• Authors of publication: Thomas, Tegan; Pugh, David; Parkin, Ivan P.; Carmalt, Claire J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m96 - m99
• a: 9.7061 ± 0.0015 Å
• b: 17.855 ± 0.003 Å
• c: 10.4555 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1812 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes