Information card for entry 4309351

Structure parameters

• Formula: C20 H20 Fe4 O12 S4 Sn2
• Calculated formula: C20 H20 Fe4 O12 S4 Sn2
• SMILES: [Sn]1(C[S]2[Fe]3([Fe]2([S]3C[Sn](C[S]2[Fe]3([Fe]2([S]3C1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C)C
• Title of publication: Synthesis, Gas-Phase Photoelectron Spectroscopic, and Theoretical Studies of Stannylated Dinuclear Iron Dithiolates
• Authors of publication: Richard S. Glass; Nadine E. Gruhn; Edward Lorance; Maya S. Singh; Nhu Y T. Stessman; Uzma I. Zakai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5728 - 5737
• a: 13.205 ± 0.002 Å
• b: 13.529 ± 0.003 Å
• c: 18.703 ± 0.003 Å
• α: 90°
• β: 90.354 ± 0.009°
• γ: 90°
• Cell volume: 3341.2 ± 1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.15
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No