Information card for entry 2018035

Structure parameters

• Chemical name: bis[bromidotriphenylarsenium(V)] di-μ-bromido-μ-oxido-bis[tribromidotitanium(IV)]
• Formula: C36 H30 As2 Br10 O Ti2
• Calculated formula: C36 H30 As2 Br10 O Ti2
• SMILES: c1(ccccc1)[As+](c1ccccc1)(c1ccccc1)Br.c1(ccccc1)[As+](c1ccccc1)(c1ccccc1)Br.[Ti]12([Br][Ti]([Br]1)(Br)(Br)(Br)O2)(Br)(Br)Br
• 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: 10.4991 ± 0.0002 Å
• b: 10.7921 ± 0.0003 Å
• c: 21.5971 ± 0.0006 Å
• α: 81.21 ± 0.001°
• β: 83.017 ± 0.002°
• γ: 67.448 ± 0.001°
• Cell volume: 2228.12 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes