Information card for entry 4062889

Structure parameters

• Formula: C18 H10 Fe2 O6
• Calculated formula: C18 H10 Fe2 O6
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)C1=CC(=O)[Fe](C#[O])(C#[O])(C#[O])(C#[O])C1=O)[cH]1[cH]5[cH]6[cH]7[cH]81
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 13.646 ± 0.0009 Å
• b: 6.006 ± 0.0007 Å
• c: 20.478 ± 0.0014 Å
• α: 90°
• β: 96.767 ± 0.006°
• γ: 90°
• Cell volume: 1666.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No