Information card for entry 4100670

Structure parameters

• Common name: [Fe(Tp-OCH3PP)(2-MeHIm)]
• Formula: C66.6 H54.7 Cl2.3 Fe N6.4 O4
• Calculated formula: C66.79 H54.1 Cl2.3 Fe N6.39 O4
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 16.2258 ± 0.0006 Å
• b: 17.1365 ± 0.0007 Å
• c: 20.7837 ± 0.0008 Å
• α: 90°
• β: 104.053 ± 0.001°
• γ: 90°
• Cell volume: 5606 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1258
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No