Information card for entry 4060596

Structure parameters

• Formula: C10 H4 Fe2 O7 S
• Calculated formula: C10 H4 Fe2 O7 S
• SMILES: [Fe]123([Fe]4([S]1[C]3(=[C]2C4=O)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Journal of publication: Organometallics
• Year of publication: 2006
• a: 7.165 ± 0.002 Å
• b: 8.389 ± 0.002 Å
• c: 12.369 ± 0.001 Å
• α: 78.36 ± 0.04°
• β: 86.65 ± 0.04°
• γ: 68.12 ± 0.03°
• Cell volume: 675.6 ± 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