Information card for entry 7051417

Structure parameters

• Formula: C54 H40 B2 Fe N6 O6 S6
• Calculated formula: C54 H43 B2 Fe N6 O6 S6
• SMILES: [Fe]12345[N]6O[B]7(O[N]1=C(Sc1ccccc1)C(Sc1ccccc1)=[N]3O[B](O[N]4=C(C(Sc1ccccc1)=[N]2O7)Sc1ccccc1)(O[N]5=C(Sc1ccccc1)C=6Sc1ccccc1)c1ccccc1)c1ccccc1
• Journal of publication: New Journal of Chemistry
• Year of publication: 1999
• a: 16.874 ± 0.003 Å
• b: 20.477 ± 0.004 Å
• c: 31.705 ± 0.006 Å
• α: 90°
• β: 104.62 ± 0.03°
• γ: 90°
• Cell volume: 10600 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No