Information card for entry 4062932

Structure parameters

• Formula: C40 H44 Fe2 S4
• Calculated formula: C40 H44 Fe2 S4
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)SCc1cccc2c1c(ccc2)CS[c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[c]1([cH]%13[cH]%12[cH]%11[cH]%101)SC(C)(C)C)[c]1([cH]8[cH]7[cH]6[cH]51)SC(C)(C)C
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 31.455 ± 0.003 Å
• b: 6.1504 ± 0.0006 Å
• c: 39.998 ± 0.003 Å
• α: 90°
• β: 107.335 ± 0.007°
• γ: 90°
• Cell volume: 7386.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1463
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No