Information card for entry 7100217

Structure parameters

• Formula: C46 H58 Cl2 Fe2 N8 O17
• Calculated formula: C46 H58 Cl2 Fe2 N8 O17
• Title of publication: Ortho-hydroxylation of benzoic acids with hydrogen peroxide at a non-heme iron center
• Authors of publication: Elena Rybak-Akimova; Bruce M. Foxman; L.Que Junior; Sonia Taktak
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 15.874 ± 0.005 Å
• b: 11.407 ± 0.004 Å
• c: 29.333 ± 0.01 Å
• α: 90°
• β: 101.599 ± 0.007°
• γ: 90°
• Cell volume: 5203 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• 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
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No