Information card for entry 4062705

Structure parameters

• Formula: C14 H12 B Br F4 Fe O5
• Calculated formula: C14 H12 B Br F4 Fe O5
• SMILES: BrC1C(OC(=CC=1OC)C)=[O][Fe]1234(C#[O])([cH]5[cH]4[cH]1[cH]3[cH]25)C#[O].[B](F)(F)(F)[F-]
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 6.6123 ± 0.0004 Å
• b: 12.2114 ± 0.0007 Å
• c: 21.4058 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1728.42 ± 0.17 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No