Information card for entry 7700329

Structure parameters

• Formula: C190 H428 Cl10 N12 O207.66 S19 Ti36
• Calculated formula: C190 H428 Cl10 N12 O207.664 S18.9998 Ti36
• Title of publication: The role of titanium-oxo clusters in the sulfate process for TiO₂ production.
• Authors of publication: Kozma, Karoly; Wang, Maoyu; Molina, Pedro I.; Martin, Nicolas P.; Feng, Zhenxing; Nyman, May
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 11086 - 11093
• a: 18.2006 ± 0.0007 Å
• b: 17.8315 ± 0.0007 Å
• c: 30.6879 ± 0.0014 Å
• α: 90°
• β: 91.136 ± 0.002°
• γ: 90°
• Cell volume: 9957.6 ± 0.7 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2186
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No