Information card for entry 2232405

Structure parameters

• Chemical name: μ~4~-Orthothiocarbonato-tetrakis[tricarbonyliron(I)](2 <i>Fe</i>—<i>Fe</i>)
• Formula: C13 Fe4 O12 S4
• Calculated formula: C13 Fe4 O12 S4
• SMILES: C([Fe]12(C#[O])(C#[O])[Fe]3(C#[O])(C#[O])(C#[O])[S]1C1([S]23)[S]2[Fe]3(C#[O])(C#[O])(C#[O])[Fe]2(C#[O])(C#[O])(C#[O])[S]13)#[O]
• Title of publication: μ~4~-Orthothiocarbonato-tetrakis[tricarbonyliron(I)](2 <i>Fe</i>—<i>Fe</i>)
• Authors of publication: Shi, Yao-Cheng; Cheng, Huan-Ren; Yuan, Li-Min; Li, Qian-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1534
• a: 9.0875 ± 0.0009 Å
• b: 10.9002 ± 0.0011 Å
• c: 12.6448 ± 0.0013 Å
• α: 101.886 ± 0.0012°
• β: 92.4964 ± 0.0012°
• γ: 110.086 ± 0.0012°
• Cell volume: 1142.2 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes