Information card for entry 7231384

Structure parameters

• Formula: C12 H21 Fe O3 S6
• Calculated formula: C12 H21 Fe O3 S6
• Title of publication: Synthesis of nanostructured powders and thin films of iron sulfide from molecular precursors
• Authors of publication: Almanqur, Laila; Vitorica-yrezabal, Inigo; Whitehead, George; Lewis, David J.; O'Brien, Paul
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 51
• Pages of publication: 29096
• a: 9.8787 ± 0.0002 Å
• b: 9.6899 ± 0.0002 Å
• c: 21.8298 ± 0.0005 Å
• α: 90°
• β: 101.469 ± 0.002°
• γ: 90°
• Cell volume: 2047.9 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No