Information card for entry 4100489

Structure parameters

• Formula: C43 H34 Fe2 N2 O3 P2 S2
• Calculated formula: C43 H34 Fe2 N2 O3 P2 S2
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Fe]123(C(=O)[Fe]41(C#[O])(C#N)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]2CC[S]34)(C#[O])C#N
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.869 ± 0.004 Å
• b: 13.787 ± 0.006 Å
• c: 29.042 ± 0.012 Å
• α: 90°
• β: 97.765 ± 0.007°
• γ: 90°
• Cell volume: 3915 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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