Information card for entry 2003374

Structure parameters

• Formula: C21 H39 O18 S3 Ti
• Calculated formula: C21 H29 O18 S3 Ti
• Title of publication: Hexaaquatitanium(III) Tris(<i>p</i>-Toluenesulfonate) Trihydrate
• Authors of publication: Aquino, M. A. S.; Clegg, W.; Liu, Q.-T.; Sykes, A. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 560 - 562
• a: 17.519 ± 0.002 Å
• b: 7.1971 ± 0.0008 Å
• c: 25.835 ± 0.003 Å
• α: 90°
• β: 90.487 ± 0.011°
• γ: 90°
• Cell volume: 3257.3 ± 0.6 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections: 0.228
• Weighted residual factors for significantly intense reflections: 0.1722
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes