Information card for entry 7056278

Structure parameters

• Formula: C48 H61 Cl2 Fe N3 O6
• Calculated formula: C48 H61 Cl2 Fe N3 O6
• Title of publication: Trigonal prismatic anionic iron (III) complex of a radical o-imino-benzo-semiquinonate derivative: Structural and spectral analysis
• Authors of publication: Saha, Sandeepta; Choudhury, Chirantan Roy; Gomez Garcia, Carlos J.; Benmansour, Samia; Garribba, Eugenio; Frontera, Antonio; Rizzoli, Corrado; Mitra, Samiran
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 17.998 ± 0.004 Å
• b: 13.587 ± 0.003 Å
• c: 22.207 ± 0.005 Å
• α: 90°
• β: 110.746 ± 0.003°
• γ: 90°
• Cell volume: 5078 ± 2 ų
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.133
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No