Information card for entry 4060595

Structure parameters

• Formula: C10 H4 Fe2 O7 S
• Calculated formula: C10 H4 Fe2 O7 S
• SMILES: [Fe]12([Fe]34([S]1C(=O)[C]4(=[CH]23)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Journal of publication: Organometallics
• Year of publication: 2006
• a: 6.7272 ± 0.0018 Å
• b: 6.935 ± 0.002 Å
• c: 15.9564 ± 0.0017 Å
• α: 89.434 ± 0.002°
• β: 84.29 ± 0.001°
• γ: 66.166 ± 0.002°
• Cell volume: 677.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No