Information card for entry 4030364

Structure parameters

• Formula: C41 H72 Fe3 N2 O9 S
• Calculated formula: C9 Fe3 O9 S
• SMILES: [Fe]12([Fe]3([Fe]1([S]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: The synthesis, structure and redox properties of the [Fe3(CO)9S]2- dianion
• Authors of publication: Zhigui, Z.; Lixin, W.; Hengbin, Z.; Ling, Y.; Yuguo, F.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1991
• Journal volume: 28
• Pages of publication: 1269 - 1276
• a: 10.969 ± 0.002 Å
• b: 12.472 ± 0.003 Å
• c: 20.363 ± 0.005 Å
• α: 100.89°
• β: 97.12°
• γ: 108.07°
• Cell volume: 2550.5 ± 1 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No