Information card for entry 2008168

Structure parameters

• Chemical name: Tris(tetraethylammonium)tetrakis(thiophenolato-μ~3~- selenido-iron)
• Formula: C48 H80 Fe4 N3 S4 Se4
• Calculated formula: C48 H80 Fe4 N3 S4 Se4
• SMILES: c1(ccccc1)S[Fe]12345[Se]6[Fe]7892(Sc2ccccc2)[Fe]2%101(Sc1ccccc1)([Fe]367(Sc1ccccc1)([Se]52)[Se]9%10)[Se]48.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Tris(tetraethylammonium) tetra-μ~3~-selenido-tetrakis[(thiophenolato-<i>S</i>)iron]
• Authors of publication: Hauptmann, Ralf; Schneider, Jörg; Chen, Changneng; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 192 - 194
• a: 24.49 ± 0.005 Å
• b: 39.314 ± 0.008 Å
• c: 11.808 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11369 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No