Information card for entry 7039124

Structure parameters

• Formula: C6 H16 F Fe N2 O8 S2
• Calculated formula: C6 H16 F Fe N2 O8 S2
• 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: 10.222 ± 0.0003 Å
• b: 17.6599 ± 0.0004 Å
• c: 7.0437 ± 0.0002 Å
• α: 90°
• β: 93.894 ± 0.002°
• γ: 90°
• Cell volume: 1268.59 ± 0.06 ų
• Cell temperature: 150.2 ± 0.1 K
• Ambient diffraction temperature: 150.2 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0423
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No