Information card for entry 2003751

Structure parameters

• Formula: C46 H28 F3 Fe N4 O2
• Calculated formula: C46.57 H28 F1.71 Fe N4 O3
• Title of publication: Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)]
• Authors of publication: Moy, S. A.; González, J. A.; Wilson, L. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1490 - 1494
• a: 14.212 ± 0.003 Å
• b: 17.39 ± 0.004 Å
• c: 14.84 ± 0.001 Å
• α: 90°
• β: 96.1 ± 0.01°
• γ: 90°
• Cell volume: 3646.9 ± 1.2 ų
• Cell temperature: 193 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.083
• Goodness-of-fit parameter for significantly intense reflections: 1.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No