Information card for entry 4316431

Structure parameters

• Formula: C33 H38 Cl9 Fe N4 Sb
• Calculated formula: C33 H38 Cl9 Fe N4 Sb
• Title of publication: Structural and Magnetic Effects of meso-Substitution in Alkyl-Substituted Metalloporphyrinate π-Cation Radicals: Characterization of [Fe(TalkylP.)(Cl)]SbCl6 (alkyl = ethyl andn-propyl)
• Authors of publication: Ming Li; Teresa J. Neal; Graeme R. A. Wyllie; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8078 - 8085
• a: 10.0407 ± 0.0001 Å
• b: 14.4882 ± 0.0006 Å
• c: 15.7601 ± 0.0009 Å
• α: 111.079 ± 0.005°
• β: 103.848 ± 0.007°
• γ: 101.504 ± 0.005°
• Cell volume: 1971.2 ± 0.2 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: 0.0571
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No