Information card for entry 4062704

Structure parameters

• Formula: C14 H13 B F4 Fe O5
• Calculated formula: C14 H13 B F4 Fe O5
• SMILES: [Fe]1234([O]=C5OC(=CC(=C5)OC)C)(C#[O])([cH]5[cH]1[cH]2[cH]4[cH]35)C#[O].[B](F)(F)(F)[F-]
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 10.442 ± 0.0006 Å
• b: 12.3557 ± 0.0007 Å
• c: 20.6549 ± 0.0011 Å
• α: 75.425 ± 0.001°
• β: 77.074 ± 0.001°
• γ: 72.982 ± 0.001°
• Cell volume: 2433.5 ± 0.2 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• 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