Information card for entry 2238661

Structure parameters

• Chemical name: (2,3,5,6-Tetrafluorophenolato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato)iron(III)
• Formula: C50 H29 F4 Fe N4 O
• Calculated formula: C50 H29 F4 Fe N4 O
• Title of publication: (2,3,5,6-Tetrafluorophenolato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato)iron(III)
• Authors of publication: Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m564 - m565
• a: 22.287 ± 0.004 Å
• b: 12.676 ± 0.002 Å
• c: 13.339 ± 0.002 Å
• α: 90°
• β: 98.51 ± 0.004°
• γ: 90°
• Cell volume: 3726.9 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No