Information card for entry 7039127

Structure parameters

• Formula: C10 H10 F4 N2 O4 S Ti
• Calculated formula: C10 H10 F4 N2 O4 S 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: 8.691 ± 0.002 Å
• b: 9.208 ± 0.002 Å
• c: 9.288 ± 0.002 Å
• α: 68.56 ± 0.02°
• β: 84.3 ± 0.02°
• γ: 81.59 ± 0.02°
• Cell volume: 683.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1027
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No