Information card for entry 1575060

Structure parameters

• Formula: C76 H98 Fe2 S4 Sn
• Calculated formula: C76 H98 Fe2 S4 Sn
• Title of publication: Ferrocenyl Substituted Stannanethione and Stannaneselone
• Authors of publication: Iijima, Keisuke; Sugamata, Koh; Sasamori, Takahiro
• Journal of publication: Molecules
• Year of publication: 2025
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 2826
• a: 15.4833 ± 0.0002 Å
• b: 22.5112 ± 0.0002 Å
• c: 20.9383 ± 0.0003 Å
• α: 90°
• β: 108.018 ± 0.001°
• γ: 90°
• Cell volume: 6940.1 ± 0.15 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No