Information card for entry 4062958

Structure parameters

• Formula: C21 H26 B Cl Fe O2
• Calculated formula: C21 H26 B Cl Fe O2
• SMILES: c1(c(C)cc(C)cc1C)B(Cl)[Fe]1234(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 9.584 ± 0.0002 Å
• b: 17.3711 ± 0.0003 Å
• c: 12.9997 ± 0.0002 Å
• α: 90°
• β: 111.249 ± 0.001°
• γ: 90°
• Cell volume: 2017.11 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No