Information card for entry 2008161

Structure parameters

• Chemical name: Bis(tetramethylammonium)tetra-μ~3~-sulfido-tetrakis [(2,2-dimethylpropanethiolato-S)iron(III)]
• Formula: C28 H68 Fe4 N2 S8
• Calculated formula: C28 H84 Fe4 N2 S8
• Title of publication: Bis(tetramethylammonium) tetra-μ~3~-sulfido-tetrakis[(2,2-dimethylpropanethiolato-<i>S</i>)iron]: a heterocubane complex anion with crystallographically imposed øverline{4}2<i>m</i> symmetry
• Authors of publication: Ralf Hauptmann; Jörg Schneider; Martin Köckerling; Gerald Henkel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 190 - 192
• a: 11.495 ± 0.001 Å
• b: 11.495 ± 0.001 Å
• c: 19.134 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2528.3 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No