Information card for entry 2227442

Structure parameters

• Chemical name: (Ethanolato)[2,3,7,8,12,13,17,18-octaethylporphyrinato(2-)]iron(III)
• Formula: C38 H49 Fe N4 O
• Calculated formula: C38 H49 Fe N4 O
• Title of publication: (Ethanolato)[2,3,7,8,12,13,17,18-octaethylporphyrinato(2{-})]iron(III)
• Authors of publication: Cheng, Lin; Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1458
• a: 10.3918 ± 0.0013 Å
• b: 10.4791 ± 0.0012 Å
• c: 16.4765 ± 0.0018 Å
• α: 106.312 ± 0.007°
• β: 105.181 ± 0.008°
• γ: 97.83 ± 0.009°
• Cell volume: 1618.7 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes