Information card for entry 4300184

Structure parameters

• Formula: C37 H46 Cl9 Fe N4 O Sb
• Calculated formula: C37 H46 Cl9 Fe N4 O Sb
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[Fe]123(Cl)[N]4=C5C=C6C(C(C(=[N]36)C=C3[N]2=C(C(=C3CC)CC)C=C2[N]1=C(C=C4C(=C5CC)CC)C(=C2CC)CC)(CC)CC)=O.C(Cl)Cl
• 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: 19.8419 ± 0.0013 Å
• b: 10.027 ± 0.002 Å
• c: 22.417 ± 0.004 Å
• α: 90°
• β: 96.13 ± 0.02°
• γ: 90°
• Cell volume: 4434.5 ± 1.2 ų
• Cell temperature: 127 ± 2 K
• Ambient diffraction temperature: 127 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.2061
• Weighted residual factors for significantly intense reflections: 0.1104
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 0.775
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No