Information card for entry 7045583

Structure parameters

• Formula: C6 H24 Fe3 N6 Se4
• Calculated formula: C6 H24 Fe3 N6 Se4
• Title of publication: Systematic dimensional reduction of the layered β-FeSe structure by solvothermal synthesis.
• Authors of publication: Stahl, J.; Shlaen, E.; Singer, H.; Johrendt, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 3264 - 3271
• a: 9.104 ± 0.004 Å
• b: 10.398 ± 0.004 Å
• c: 11.675 ± 0.005 Å
• α: 109.88 ± 0.013°
• β: 96.37 ± 0.015°
• γ: 114.093 ± 0.014°
• Cell volume: 907.7 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Goodness-of-fit parameter for all reflections included in the refinement: 1.56
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No