Information card for entry 1567862

Structure parameters

• Chemical name: 4,5-Diferrocenyl-1,2-dithiole-3-thione
• Formula: C23 H18 Fe2 S3
• Calculated formula: C23 H18 Fe2 S3
• Title of publication: 4,5-Diferrocenyl-1,2-dithiole-3-thione
• Authors of publication: Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Nuñez-Gordillo, Amairany; Klimova, Elena I.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 10
• Pages of publication: x221011
• a: 11.0149 ± 0.0012 Å
• b: 14.0459 ± 0.0012 Å
• c: 13.3983 ± 0.0013 Å
• α: 90°
• β: 109.205 ± 0.012°
• γ: 90°
• Cell volume: 1957.5 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No