Information card for entry 7101085

Structure parameters

• Formula: C49 H56 F6 Fe N6 O2 S
• Calculated formula: C46 H49 F6 Fe N6 O2 S
• Title of publication: The first structurally characterized nitrosyl heme thiolate model complex
• Authors of publication: G. Richter-Addo; Lin Cheng.; Douglas R. Powell; Nan Xu.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 8.9881 ± 0.0014 Å
• b: 13.208 ± 0.002 Å
• c: 19.879 ± 0.003 Å
• α: 100.889 ± 0.005°
• β: 91.761 ± 0.005°
• γ: 101.373 ± 0.005°
• Cell volume: 2266.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No