Information card for entry 4062959

Structure parameters

• Formula: C21 H26 B F Fe O2
• Calculated formula: C21 H26 B F Fe O2
• SMILES: [Fe]1234(C#[O])(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)B(F)c1c(cc(cc1C)C)C
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 8 ± 0.0016 Å
• b: 8.677 ± 0.0017 Å
• c: 14.65 ± 0.003 Å
• α: 92.67 ± 0.03°
• β: 101.17 ± 0.03°
• γ: 97.57 ± 0.03°
• Cell volume: 986.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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