Information card for entry 7231383

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: 13.9928 ± 0.0003 Å
• b: 15.6007 ± 0.0003 Å
• c: 9.13185 ± 0.00019 Å
• α: 90°
• β: 102.292 ± 0.002°
• γ: 90°
• Cell volume: 1947.76 ± 0.07 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 K
• Number of distinct elements: 5
• 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: 0.0194
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No