Information card for entry 4061553

Structure parameters

• Formula: C60 H42 Fe6 N O18 P3 S3
• Calculated formula: C60 H42 Fe6 N O18 P3 S3
• SMILES: [Fe]12([Fe](C#[O])(C#[O])(C#[O])([P]1(c1ccccc1)c1ccccc1)[S]2CCN(CC[S]1[Fe]2([Fe]1(C#[O])(C#[O])(C#[O])[P]2(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])CC[S]1[Fe]2([Fe]1(C#[O])(C#[O])(C#[O])[P]2(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 18.119 ± 0.0007 Å
• b: 14.9011 ± 0.0006 Å
• c: 25.4867 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6881.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Duplicate of: 4060084
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No