Information card for entry 4326287

Structure parameters

• Formula: C37 H46 Cl6 Fe N4 O Sb0.5
• Calculated formula: C37 H46 Cl6 Fe N4 O Sb0.5
• Title of publication: Metalloporphyrin Mixed-Valence π-Cation Radicals: [Fe(oxoOEC./2)(Cl)]2SbCl6, Structure, Magnetic Properties, and Near-IR Spectra
• Authors of publication: Ming Li; Teresa J. Neal; Graeme R. A. Wyllie; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9114 - 9121
• a: 10.333 ± 0.002 Å
• b: 12.555 ± 0.003 Å
• c: 15.849 ± 0.003 Å
• α: 83.64 ± 0.03°
• β: 77.53 ± 0.03°
• γ: 87.19 ± 0.03°
• Cell volume: 1994.6 ± 0.8 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2397
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No