Information card for entry 2219863

Structure parameters

• Chemical name: (2,3,7,8,12,13,17,18-Octaethylporphinato)(trifluoromethanesulfonato)iron(III)
• Formula: C37 H44 F3 Fe N4 O3 S
• Calculated formula: C37 H44 F3 Fe N4 O3 S
• Title of publication: (2,3,7,8,12,13,17,18-Octaethylporphinato)(trifluoromethanesulfonato)iron(III)
• Authors of publication: Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1366
• a: 12.218 ± 0.0014 Å
• b: 12.7994 ± 0.0015 Å
• c: 13.8028 ± 0.0016 Å
• α: 96.324 ± 0.005°
• β: 115.007 ± 0.005°
• γ: 111.721 ± 0.006°
• Cell volume: 1723.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes