Information card for entry 1575059

Structure parameters

• Formula: C158 H202 Fe4 Se2 Sn2
• Calculated formula: C158 H202 Fe4 Se2 Sn2
• 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: 19.3954 ± 0.0003 Å
• b: 35.2095 ± 0.0005 Å
• c: 21.6237 ± 0.0003 Å
• α: 90°
• β: 113.369 ± 0.002°
• γ: 90°
• Cell volume: 13555.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No