Information card for entry 4100435

Structure parameters

• Formula: C110 H124 B2 Fe2 N Na O5 P6
• Calculated formula: C110 H124 B2 Fe2 N Na O5 P6
• SMILES: [B]12(C[P](c3ccccc3)(c3ccccc3)[Fe]3([P](C2)(c2ccccc2)c2ccccc2)([P](C1)(c1ccccc1)c1ccccc1)N[Fe]12([P](C[B](C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[H]3)c1ccccc1.C1C[O](CC1)[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1OCCC1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 13.712 ± 0.002 Å
• b: 23.001 ± 0.004 Å
• c: 30.221 ± 0.005 Å
• α: 90°
• β: 91.006 ± 0.006°
• γ: 90°
• Cell volume: 9530 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: Yes
• Has Fobs: No