Information card for entry 2008689

Structure parameters

• Formula: C24 H70 Fe2 Na2 O8 S6
• Calculated formula: C24 H70 Fe2 Na2 O8 S6
• SMILES: C(C)(C)S[Fe]1([S](C(C)C)[Fe](SC(C)C)(SC(C)C)[S]1C(C)C)SC(C)C.[Na]1([OH]C)([OH]C)([OH]C)[OH2][Na]([OH]C)([OH]C)([OH]C)[OH2]1
• Title of publication: Di-μ-aqua-bis[(trimethanol-<i>O</i>)sodium] <i>anti</i>-bis(μ-2-propanethiolato-<i>S</i>:<i>S</i>)bis[bis(2-propanethiolato-<i>S</i>)iron(II)] and bis(benzyltrimethylammonium) <i>anti</i>-bis(μ-2-propaneselenolato-<i>Se</i>:<i>Se</i>)bis[bis(2-propaneselenolato-<i>Se</i>)iron(II)]
• Authors of publication: Ralf Hauptmann; Jörg Lackmann; Changneng Chen; Gerald Henkel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1084 - 1087
• a: 10.516 ± 0.007 Å
• b: 11.484 ± 0.006 Å
• c: 11.705 ± 0.007 Å
• α: 113.89 ± 0.04°
• β: 112.11 ± 0.04°
• γ: 95.83 ± 0.04°
• Cell volume: 1142.3 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No