Information card for entry 7039123

Structure parameters

• Formula: C8 H24 F1.33 Mn2 N2.67 O12 S2.67
• Calculated formula: C8 H24 F1.33333 Mn2 N2.66667 O12 S2.66667
• 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: 12.0101 ± 0.0005 Å
• b: 5.6681 ± 0.0002 Å
• c: 20.4103 ± 0.0008 Å
• α: 90°
• β: 90.425 ± 0.004°
• γ: 90°
• Cell volume: 1389.38 ± 0.09 ų
• Cell temperature: 150.87 ± 0.1 K
• Ambient diffraction temperature: 150.87 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No