Information card for entry 4100436

Structure parameters

• Formula: C98 H98 B2 Fe2 N O2 P6
• Calculated formula: C98 H98 B2 Fe2 N O2 P6
• SMILES: [Fe]12(=[N]=[Fe]34[P](C[B](c5ccccc5)(C[P]3(c3ccccc3)c3ccccc3)C[P]4(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)[P](C[B](c3ccccc3)(C[P]1(c1ccccc1)c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 23.519 ± 0.005 Å
• b: 13.524 ± 0.003 Å
• c: 25.937 ± 0.006 Å
• α: 90°
• β: 95.178 ± 0.004°
• γ: 90°
• Cell volume: 8216 ± 3 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No