Information card for entry 2202450

Structure parameters

• Formula: C11 H18 F3 Fe N2 O6 S5
• Calculated formula: C11 H18 F3 Fe N2 O6 S5
• Title of publication: Aquabis(4-morpholinyldithiocarbamato)iron(III) trifluoromethanesulfonate
• Authors of publication: Wu, Bei; Taylor, Max R.; Martin, Lisandra L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m1083 - m1085
• a: 18.929 ± 0.006 Å
• b: 10.197 ± 0.003 Å
• c: 11.214 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2164.5 ± 1.2 ų
• Cell temperature: 168 K
• Ambient diffraction temperature: 168 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes