Information card for entry 2244216

Structure parameters

• Chemical name: Poly[[tricosa(μ-ethylenediamine)dodecalithium] bis[octaselenidotetraferrate(II/III)]]
• Formula: C23 H92 Fe4 Li6 N23 Se8
• Calculated formula: C23 H92 Fe4 Li6 N23 Se8
• Title of publication: [Li~6~(C~2~N~2~H~8~)~11.5~][Fe~4~Se~8~]: the first lithium-containing chalcogenidotetraferrate synthesized in solution
• Authors of publication: Fuss, Friederike; Thiele, Günther
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 12
• a: 11.495 ± 0.002 Å
• b: 11.665 ± 0.003 Å
• c: 22.233 ± 0.005 Å
• α: 92.885 ± 0.008°
• β: 92.383 ± 0.007°
• γ: 103.51 ± 0.007°
• Cell volume: 2890.7 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes