Information card for entry 7004928

Structure parameters

• Formula: C4 H20 F6 Mn3 N4 O8 S2
• Calculated formula: C4 H20 F6 Mn3 N4 O8 S2
• Title of publication: Synthesis, structure and magnetic properties of an amine-templated Mn2+ (S = 5/2) sulfate with the Kagome structure.
• Authors of publication: Behera, J. N.; Rao, C. N. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 6
• Pages of publication: 669 - 673
• a: 17.6128 ± 0.0002 Å
• b: 7.6004 ± 0.0001 Å
• c: 13.0501 ± 0.0001 Å
• α: 90°
• β: 104.868 ± 0.001°
• γ: 90°
• Cell volume: 1688.45 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0417
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No