Information card for entry 1575063

Structure parameters

• Formula: C88 H114 Fe2 S Sn
• Calculated formula: C88 H114 Fe2 S 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: 12.6041 ± 0.0001 Å
• b: 13.7615 ± 0.0001 Å
• c: 23.5222 ± 0.0002 Å
• α: 97.278 ± 0.001°
• β: 103.25 ± 0.001°
• γ: 100.371 ± 0.001°
• Cell volume: 3845.9 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No