Information card for entry 4300183

Structure parameters

• Formula: C36.78 H46 Cl2.57 Fe N4 O
• Calculated formula: C36.782 H46 Cl2.564 Fe N4 O
• Title of publication: Magnetic Interactions in the High-Spin Iron(III) Oxooctaethylchlorinato Derivative [Fe(oxoOEC)(Cl)] and Its π-Cation Radical [Fe(oxoOEC.)(Cl)]SbCl6
• Authors of publication: Teresa J. Neal; Seong-Joo Kang; Ilona Turowska-Tyrk; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 872 - 880
• a: 9.174 ± 0.002 Å
• b: 13.522 ± 0.003 Å
• c: 14.838 ± 0.003 Å
• α: 95.79 ± 0.03°
• β: 92.03 ± 0.03°
• γ: 104.84 ± 0.03°
• Cell volume: 1766.6 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1657
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for all reflections: 0.2163
• Weighted residual factors for significantly intense reflections: 0.1687
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No