Information card for entry 2226709

Structure parameters

• Chemical name: Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) dichloromethane sesquisolvate
• Formula: C37.5 H47 Cl4 Fe N4
• Calculated formula: C37.5 H47 Cl4 Fe N4
• Title of publication: Chlorido(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) dichloromethane sesquisolvate
• Authors of publication: Safo, Martin K.; Buentello, Kristin E.; Oliver, Allen G.; Scheidt, W. Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m733
• a: 10.062 ± 0.006 Å
• b: 13.767 ± 0.005 Å
• c: 14.754 ± 0.005 Å
• α: 66.46 ± 0.02°
• β: 80.55 ± 0.02°
• γ: 76.1 ± 0.02°
• Cell volume: 1813.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes