Information card for entry 4030194

Structure parameters

• Formula: Br6 O S8 Ti4
• Calculated formula: Br6 O S8 Ti4
• SMILES: Br[Ti]12345[Br][Ti]6789(Br)[S]%10[Ti]%11%12(Br)([Br][Ti]%13%14(Br)([S]7[S]8%13)([S]3[S]4%14)[O]59%12)([S]1[S]2%11)[S]6%10
• Title of publication: Synthesis and crystal structure of Ti4O(S2)4Br6
• Authors of publication: Cotton, F. Albert; Kibala, Piotr A.; Sandor, Robert B. W.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1988
• Journal volume: 25
• Pages of publication: 631 - 636
• a: 9.207 ± 0.002 Å
• b: 11.19 ± 0.004 Å
• c: 18.952 ± 0.005 Å
• α: 90°
• β: 91.63 ± 0.02°
• γ: 90°
• Cell volume: 1951.8 ± 1 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No