Information card for entry 2008690

Structure parameters

• Formula: C38 H74 Fe2 N2 Se6
• Calculated formula: C38 H74 Fe2 N2 Se6
• SMILES: [N+](C)(C)(Cc1ccccc1)C.C([Se][Fe]1([Se]C(C)C)[Se](C(C)C)[Fe]([Se]C(C)C)([Se]C(C)C)[Se]1C(C)C)(C)C.[N+](C)(C)(C)Cc1ccccc1
• 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: 10.322 ± 0.008 Å
• b: 10.482 ± 0.007 Å
• c: 13.259 ± 0.008 Å
• α: 97.64 ± 0.005°
• β: 103.98 ± 0.05°
• γ: 115.43 ± 0.005°
• Cell volume: 1210.5 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for significantly intense reflections: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No