Information card for entry 4341949

Structure parameters

• Formula: Cs7 Fe4 S8
• Calculated formula: Cs7 Fe4 S8
• SMILES: [S]12[Fe]3456([S]7[Fe]8913([S]1[Fe]3258([S]4[Fe]67913[S-])[S-])[S-])[S-].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+]
• Title of publication: Cs8[Fe4S10] and Cs7[Fe4S8], Two New Sulfido Ferrates with Different Tetrameric anions.
• Authors of publication: Schwarz, Michael; Röhr, Caroline
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 1038 - 1048
• a: 18.9165 ± 0.0007 Å
• b: 8.5292 ± 0.0003 Å
• c: 16.6862 ± 0.0006 Å
• α: 90°
• β: 117.95 ± 0.0013°
• γ: 90°
• Cell volume: 2378.17 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No