Information card for entry 2232962

Structure parameters

• Chemical name: Undecacarbonyl-μ~2~-methanethiolato-μ~2~-[(pyridin-2-yl)methanethiolato]- μ~4~-sulfido-tetrairon(II)(2 <i>Fe</i>—<i>Fe</i>)
• Formula: C18 H9 Fe4 N O11 S3
• Calculated formula: C18 H9 Fe4 N O11 S3
• SMILES: C([Fe]12(C#[O])(C#[O])[Fe]3(C#[O])(C#[O])([n]4c(C[S]13)cccc4)S12[Fe]2(C#[O])(C#[O])(C#[O])[Fe]1(C#[O])(C#[O])(C#[O])[S]2C)#[O]
• Title of publication: Undecacarbonyl-μ~2~-methanethiolato-μ~2~-[(pyridin-2-yl)methanethiolato]-μ~4~-sulfido-tetrairon(II)(2 <i>Fe</i>—<i>Fe</i>)
• Authors of publication: Shi, Yao-Cheng; Lai, Liang; Shen, Wen-Bin; Yuan, Li-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1763
• a: 9.1253 ± 0.0003 Å
• b: 28.9515 ± 0.0015 Å
• c: 10.0376 ± 0.0011 Å
• α: 90°
• β: 98.3238 ± 0.0012°
• γ: 90°
• Cell volume: 2623.9 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0677
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes