Information card for entry 2013828

Structure parameters

• Formula: C56 H20 F20 Fe N4
• Calculated formula: C56 H20 F20 Fe N4
• SMILES: [Fe]123[n]4c5=C(c6ccc(C(=c7ccc([n]17)C(=c1ccc(=C(c4cc5)c4c(F)c(F)c(c(c4F)F)F)n21)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)n36)c1c(c(c(c(c1F)F)F)F)F.c1ccccc1.c1ccccc1
• Title of publication: [5,10,15,20-Tetrakis(pentafluorophenyl)porphyrinato]iron(II) benzene disolvate
• Authors of publication: Oh, Yunghee; Shin, Byoung-Chul; Swenson, Dale; Goff, Harold M.; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m57 - m59
• a: 34.136 ± 0.007 Å
• b: 6.4633 ± 0.0013 Å
• c: 26.356 ± 0.005 Å
• α: 90°
• β: 123.85 ± 0.03°
• γ: 90°
• Cell volume: 4829 ± 2 ų
• Cell temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes