Information card for entry 7039126

Structure parameters

• Formula: C10 H10 F2 N2 O8 S2 Ti
• Calculated formula: C10 H10 F2 N2 O8 S2 Ti
• Title of publication: Synthesis and structural characterisation of transition metal fluoride sulfates.
• Authors of publication: Marshall, Kayleigh L.; Wang, Qianlong; Sullivan, Hannah S. I.; Weller, Mark T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8854 - 8861
• a: 4.5768 ± 0.0003 Å
• b: 8.9162 ± 0.0006 Å
• c: 10.1236 ± 0.0009 Å
• α: 112.888 ± 0.007°
• β: 95.196 ± 0.006°
• γ: 98.706 ± 0.005°
• Cell volume: 371.11 ± 0.05 ų
• Cell temperature: 150.2 ± 0.5 K
• Ambient diffraction temperature: 150.2 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No