Information card for entry 4100672

Structure parameters

• Common name: [Fe(TPP)(1,2-DiMeHIm)]
• Formula: C56 H44 Fe N6
• Calculated formula: C56 H44 Fe N6
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 13.0504 ± 0.0008 Å
• b: 9.4303 ± 0.0006 Å
• c: 35.931 ± 0.002 Å
• α: 90°
• β: 98.468 ± 0.001°
• γ: 90°
• Cell volume: 4373.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1077
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No