Information card for entry 8101406

Structure parameters

• Formula: C56 H122 Fe2 N2 O4 S6
• Calculated formula: C56 H122 Fe2 N2 O4 S6
• Title of publication: Crystal structure of tetraethylammonium anti-bis(μ-cyclohexane- thiolato)-tetrakis(cyclohexanethiolato)diiron(II)‒tetrakismethanol, [(C~2~H~5~)~4~N]~2~[Fe~2~(SC~6~H~11~)~6~] · 4CH~3~OH
• Authors of publication: Hauptmann, Ralf; Lackmann, Jörg; Henkel, Gerald
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 132 - 134
• a: 15.371 ± 0.006 Å
• b: 13.422 ± 0.005 Å
• c: 16.751 ± 0.006 Å
• α: 90°
• β: 100.67 ± 0.03°
• γ: 90°
• Cell volume: 3396 ± 2 ų
• Cell temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1558
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No